A0A077YXP2_TRITR Loading...

dTCF

Segment polarity protein. Functions together with arm to transduce the Wingless (Wg) signal in embryos and in developing adult tissues. Acts as a transcriptional activator, but in the absence of arm, it binds to gro and acts as a transcriptional repressor of wg-responsive genes.

AlphaFold DB , UniProt , Accession A0A077YXP2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 540 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.5Very low46.3Very low237 Ų237133.5 Ų133.5100%1.16777%0.77SS**  0121.60-70.3-162.3174.500108.3
2L48.7Very low46.2Very low185 Ų185131.8 Ų131.897%0.96977%0.772SS**  -74.6127.2-67.5-85.3156.9000108
3A44.8Very low46.2Very low72 Ų72132.1 Ų132.160%0.59578%0.776SS**  trans-100.8-179.5171.700000108.1
4I51.9Low46.4Very low165 Ų165131.9 Ų131.985%0.84679%0.785SS**  trans89.5134.2159.9-52.9155.9000111.9
5S47.2Very low46.1Very low80 Ų80135.1 Ų135.156%0.55979%0.786SS**  cis165.2150-4.6-176.30000104.2
6T47.8Very low46Very low111 Ų111135.9 Ų135.968%0.68179%0.786SS**  trans61.4148.3144.252.70000118.2
7Q45.4Very low46.2Very low163 Ų163132.9 Ų132.976%0.76277%0.772SS**  cis179.8169.6-3.5-106.6175.923.700103.3
8S46.6Very low45.9Very low103 Ų103136 Ų13672%0.7278%0.775SS**  trans77.8139.1153.4-45.80000116
9S45.9Very low45.4Very low87 Ų87135.2 Ų135.261%0.60878%0.779SS**  cis169.3137.3-2.543.90000105.6
10L46.3Very low45.5Very low166 Ų166133.3 Ų133.387%0.86977%0.769SS**  trans67.6148.7148.9-56.4161.1000115.6
11S43.1Very low45.2Very low99 Ų99134.1 Ų134.169%0.69277%0.771SS**  cis174.9151.83.8400000106.4
12S45.6Very low45.3Very low114 Ų114126.5 Ų126.580%0.79775%0.746SS**  trans127.295.1165.157.90000110.5
13V45.6Very low45.1Very low135 Ų135122.6 Ų122.682%0.81873%0.734SS**  6595.856-163.80000113
14S49.8Very low44.7Very low130 Ų130124.6 Ų124.691%0.90974%0.744SS**  trans-152.8101.9136.2-91.40000108.6
15F41.2Very low44.5Very low180 Ų180122.7 Ų122.779%0.78974%0.74SS**  trans-88.8145.5165.4-132.2-104000107
16D45.2Very low44.4Very low147 Ų147128.4 Ų128.479%0.78676%0.755SS**  175.8154.7125.1-93.8-18.4000113.8
17P49.7Very low44.7Very low86 Ų86130.4 Ų130.456%0.55876%0.761SS**  -124.5177.6-128.138.7-22.5000112.5
18F39.6Very low45Very low188 Ų188127 Ų12783%0.82575%0.753SS**  177.797.3129.9-109.3-87.4000109.1V20F18-V20 HydrophobicContact CD1-CG2 3.6Å; F18-V20 HydrophobicContact CE1-CG2 3.71Å
19S36.3Very low45.6Very low120 Ų120127.3 Ų127.384%0.83975%0.75SS**  trans-119.5112.8155.9-175.60000106.2
20V47Very low46.4Very low97 Ų97125.8 Ų125.859%0.58874%0.738SS**  trans-149.5120162.3-95.80000107.5F18F18-V20 HydrophobicContact CD1-CG2 3.6Å; F18-V20 HydrophobicContact CE1-CG2 3.71Å
21N41Very low46.5Very low151 Ų151126.7 Ų126.781%0.80773%0.731SS**  41137.6125.7-60-25.4000117
22A42.2Very low47.1Very low78 Ų78128.1 Ų128.165%0.64573%0.73SS**  cis175.1167.34.700000103.4
23S44Very low47.9Very low102 Ų102127 Ų12771%0.71372%0.715SS**  trans75.991.2154.2-47.50000117.6T25S23-T25 PolarHBondContact O-N 3.33Å
24S36.8Very low48.6Very low115 Ų115124.9 Ų124.980%0.80470%0.698SS**  19.797.1117.7168.10000116
25T48.7Very low49.1Very low125 Ų125123.7 Ų123.777%0.76768%0.68SS**  trans-138.699.5150.738.70000109.4S23 L27S23-T25 PolarHBondContact O-N 3.33Å; T25-L27 PolarHBondContact O-N 3.18Å
26F45.6Very low50Low200 Ų200120.2 Ų120.288%0.87767%0.668SS**  trans-44.2113.8157.2-106.7-111.3000109.6
27L52.3Low50.7Low153 Ų153117.4 Ų117.480%0.80165%0.653SS**  trans-94.8128.7158.8-73.4177.2000108T25T25-L27 PolarHBondContact O-N 3.18Å
28P52.7Low51.2Low91 Ų91118 Ų11859%0.59166%0.655SS**  trans-79.5152.4-159.536.6-38000109.9P30P28-P30 VanDerWaalsContact CB-CD 3.41Å; P28-P30 HydrophobicContact CB-CG 4.14Å; P28-P30 HydrophobicContact CG-CG 4.22Å; P28-P30 WeakPolarHBondContact O-CD 3.09Å
29V58.4Low52.1Low109 Ų109113.7 Ų113.766%0.66164%0.643SS**SBendtrans-82.612.3-179.8-177.30000115Y31 I33V29-Y31 PolarHBondContact O-N 3.06Å; V29-I33 HydrophobicContact CG1-CD1 4.08Å
30P62.7Low53.2Low56 Ų56113 Ų11336%0.36463%0.634SS.*Hα-helixtrans-79.5-18-172.931.6-32.8000114.1P28 I34P28-P30 VanDerWaalsContact CB-CD 3.41Å; P28-P30 HydrophobicContact CB-CG 4.14Å; P28-P30 HydrophobicContact CG-CG 4.22Å; P28-P30 WeakPolarHBondContact O-CD 3.09Å; P30-I34 HydrophobicContact CB-CD1 4.36Å; P30-I34 WeakPolarHBondContact O-CB 3.44Å; P30-I34 VanDerWaalsContact O-CD1 3.26Å; P30-I34 WeakPolarHBondContact O-CD1 3.11Å; P30-I34 WeakPolarHBondContact O-CG1 3.26Å; P30-I34 PolarHBondContact O-N 3.46Å
31Y49.7Very low53.5Low184 Ų184114.4 Ų114.472%0.72264%0.638SS**Hα-helixtrans-75.5-34.6-176.4-84.6-81.9000114.3V29 I35V29-Y31 PolarHBondContact O-N 3.06Å; Y31-I35 WeakPolarHBondContact O-CG1 3.48Å; Y31-I35 PolarHBondContact O-N 3.28Å
32L55.1Low53.9Low129 Ų129110.2 Ų110.268%0.67563%0.63SS**Hα-helixtrans-73.9-31.9175.3-86.3170.1000112.5I36L32-I36 WeakPolarHBondContact O-CD1 3.42Å; L32-I36 VanDerWaalsContact O-CG1 3.31Å; L32-I36 WeakPolarHBondContact O-CG1 3.24Å; L32-I36 PolarHBondContact O-N 3.32Å
33I63Low54.2Low91 Ų91113.3 Ų113.347%0.46764%0.635SS.*Hα-helixtrans-72.6-38.4176.9-63.9174.7000110.7V29 I35 I36 I37V29-I33 HydrophobicContact CG1-CD1 4.08Å; I33-I35 PolarHBondContact O-N 3.49Å; I33-I36 PolarHBondContact O-N 3.48Å; I33-I37 HydrophobicContact CG2-CD1 3.56Å; I33-I37 HydrophobicContact CG2-CG1 4.25Å; I33-I37 WeakPolarHBondContact O-CB 3.24Å; I33-I37 VanDerWaalsContact O-CG1 3.24Å; I33-I37 WeakPolarHBondContact O-CG1 3.21Å; I33-I37 PolarHBondContact O-N 2.98Å
34I60.8Low54.4Low91 Ų91119.4 Ų119.447%0.46764%0.643SS.*Hα-helixtrans-64.4-40.1177-69.2164.3000111.2P30 I36 I37 V38P30-I34 HydrophobicContact CB-CD1 4.36Å; P30-I34 WeakPolarHBondContact O-CB 3.44Å; P30-I34 VanDerWaalsContact O-CD1 3.26Å; P30-I34 WeakPolarHBondContact O-CD1 3.11Å; P30-I34 WeakPolarHBondContact O-CG1 3.26Å; P30-I34 PolarHBondContact O-N 3.46Å; I34-I36 PolarHBondContact O-N 3.44Å; I34-I37 PolarHBondContact O-N 3.19Å; I34-V38 HydrophobicContact CG2-CG2 4.34Å; I34-V38 WeakPolarHBondContact O-CB 3.31Å; I34-V38 VanDerWaalsContact O-CG2 3.24Å; I34-V38 WeakPolarHBondContact O-CG2 3.35Å; I34-V38 PolarHBondContact O-N 3.35Å
35I59.2Low54.8Low104 Ų104122.4 Ų122.453%0.53365%0.649SS.*Hα-helixtrans-67.9-37.4178.9-65.2169.8000111.4Y31 I33 V39Y31-I35 WeakPolarHBondContact O-CG1 3.48Å; Y31-I35 PolarHBondContact O-N 3.28Å; I33-I35 PolarHBondContact O-N 3.49Å; I35-V39 VanDerWaalsContact O-CG2 3.26Å; I35-V39 WeakPolarHBondContact O-CG2 3.37Å; I35-V39 PolarHBondContact O-N 3.37Å
36I60.4Low55Low107 Ų107121.9 Ų121.955%0.54965%0.647SS.*Hα-helixtrans-71.4-37.2177-64.9168.6000111.2L32 I33 I34 V39 V40L32-I36 WeakPolarHBondContact O-CD1 3.42Å; L32-I36 VanDerWaalsContact O-CG1 3.31Å; L32-I36 WeakPolarHBondContact O-CG1 3.24Å; L32-I36 PolarHBondContact O-N 3.32Å; I33-I36 PolarHBondContact O-N 3.48Å; I34-I36 PolarHBondContact O-N 3.44Å; I36-V39 PolarHBondContact O-N 3.38Å; I36-V40 HydrophobicContact CG2-CG2 4.31Å; I36-V40 WeakPolarHBondContact O-CB 3.34Å; I36-V40 WeakPolarHBondContact O-CG2 3.29Å; I36-V40 PolarHBondContact O-N 2.95Å
37I60Low54.6Low88 Ų88121.6 Ų121.645%0.45165%0.646SS.*Hα-helixtrans-69.8-37.6177.9-69.7173.5000111.6I33 I34 V40 L41I33-I37 HydrophobicContact CG2-CD1 3.56Å; I33-I37 HydrophobicContact CG2-CG1 4.25Å; I33-I37 WeakPolarHBondContact O-CB 3.24Å; I33-I37 VanDerWaalsContact O-CG1 3.24Å; I33-I37 WeakPolarHBondContact O-CG1 3.21Å; I33-I37 PolarHBondContact O-N 2.98Å; I34-I37 PolarHBondContact O-N 3.19Å; I37-V40 PolarHBondContact O-N 3.47Å; I37-L41 HydrophobicContact CG2-CD1 3.47Å; I37-L41 VanDerWaalsContact CG2-CD1 3.47Å; I37-L41 HydrophobicContact CG2-CG 4.22Å; I37-L41 VanDerWaalsContact O-CB 3.29Å; I37-L41 WeakPolarHBondContact O-CB 3.49Å; I37-L41 WeakPolarHBondContact O-CG 3.26Å; I37-L41 PolarHBondContact O-N 3.44Å
38V59Low54.4Low100 Ų100120.5 Ų120.561%0.60665%0.646SS**Hα-helixtrans-69.2-34176.91740000111.8I34 G42I34-V38 HydrophobicContact CG2-CG2 4.34Å; I34-V38 WeakPolarHBondContact O-CB 3.31Å; I34-V38 VanDerWaalsContact O-CG2 3.24Å; I34-V38 WeakPolarHBondContact O-CG2 3.35Å; I34-V38 PolarHBondContact O-N 3.35Å; V38-G42 PolarHBondContact O-N 3.01Å
39V59.4Low53.8Low96 Ų96119.4 Ų119.458%0.58265%0.645SS**Hα-helixtrans-78.6-28.6177.5175.70000112.7I35 I36I35-V39 VanDerWaalsContact O-CG2 3.26Å; I35-V39 WeakPolarHBondContact O-CG2 3.37Å; I35-V39 PolarHBondContact O-N 3.37Å; I36-V39 PolarHBondContact O-N 3.38Å
40V58.3Low53.2Low105 Ų105120.8 Ų120.864%0.63665%0.653SS**Hα-helixtrans-84.9-29.4177.6174.50000112.5I36 I37I36-V40 HydrophobicContact CG2-CG2 4.31Å; I36-V40 WeakPolarHBondContact O-CB 3.34Å; I36-V40 WeakPolarHBondContact O-CG2 3.29Å; I36-V40 PolarHBondContact O-N 2.95Å; I37-V40 PolarHBondContact O-N 3.47Å
41L54.3Low52.5Low128 Ų128123.9 Ų123.967%0.6767%0.673SS**Hα-helixtrans-86.1-18.4177.2-68.7173.9000114.1I37 N43I37-L41 HydrophobicContact CG2-CD1 3.47Å; I37-L41 VanDerWaalsContact CG2-CD1 3.47Å; I37-L41 HydrophobicContact CG2-CG 4.22Å; I37-L41 VanDerWaalsContact O-CB 3.29Å; I37-L41 WeakPolarHBondContact O-CB 3.49Å; I37-L41 WeakPolarHBondContact O-CG 3.26Å; I37-L41 PolarHBondContact O-N 3.44Å; L41-N43 PolarHBondContact O-N 3.47Å
42G48.5Very low52Low62 Ų62126.4 Ų126.464%0.63968%0.683SS**THydrogen-bonded Turntrans-71.2-3.8177.500000116.1V38V38-G42 PolarHBondContact O-N 3.01Å
43N50.2Low51.4Low143 Ų143124.7 Ų124.777%0.76569%0.688SS**THydrogen-bonded Turntrans-117.421.9-173.4-79.5-39.7000115.1L41L41-N43 PolarHBondContact O-N 3.47Å
44R47.6Very low50.4Low230 Ų230125.9 Ų125.987%0.86870%0.704SS**  trans-125.194.6172.5-96.1-168.4171.4-114.92.9111.7
45L45.8Very low49.9Very low178 Ų178126.8 Ų126.893%0.93272%0.716SS**PPolyproline II helixtrans-100.2125.1160.7-80.7170000109.8
46P52.7Low49.1Very low114 Ų114127.3 Ų127.374%0.7473%0.729SS**PPolyproline II helixtrans-83.2135.5-179.632.2-31.1000111.7
47F36.8Very low48.2Very low194 Ų194125.8 Ų125.885%0.85174%0.74SS**PPolyproline II helixtrans-71.1118.8169.1-174.6-92.8000109.3A49F47-A49 HydrophobicContact CE1-CB 4.24Å
48V48.4Very low47.3Very low130 Ų130130.2 Ų130.279%0.78876%0.756SS**  trans-129.6121.4164.1177.60000108.6
49A39.2Very low46.5Very low69 Ų69134 Ų13457%0.5777%0.765SS**  trans-98138175.600000109.5F47F47-A49 HydrophobicContact CE1-CB 4.24Å
50T47.2Very low45.5Very low138 Ų138132.6 Ų132.685%0.84777%0.77SS**  trans-158.5151.7151.632.10000110.9
51P47.3Very low44.8Very low120 Ų120132.2 Ų132.278%0.77978%0.778SS**  trans-115.7163.1-151.437.7-23000115.7
52Y39.3Very low44.1Very low237 Ų237135.4 Ų135.493%0.92979%0.789SS**  trans44.1113.9144.3-123.6-98.4000120.9
53A43.1Very low43.9Very low94 Ų94137.9 Ų137.978%0.77780%0.796SS**  170.3120.5121.100000112.1
54S40Very low44Very low116 Ų116136.2 Ų136.281%0.81179%0.794SS**  trans-74.2178.7160.6-71.30000110.3
55P50.9Low43.7Very low110 Ų110132.5 Ų132.571%0.71479%0.79SS**  cis-152176.225.638.1-13.3000120
56S43.3Very low43.4Very low115 Ų115133 Ų13380%0.80479%0.785SS**  trans67.6121.5139.754.30000122.4
57G41.4Very low43Very low75 Ų75132.6 Ų132.677%0.77379%0.785SS**  122.1112113.800000119.2
58F41.1Very low43Very low181 Ų181126.5 Ų126.579%0.79478%0.777SS**  97.6103.4126.6-129.5-96.9000121.8
59F42Very low42.9Very low179 Ų179127.2 Ų127.279%0.78578%0.781SS**  trans56.4140.2134.6-75.4-101.4000125.6
60G38.6Very low43.2Very low67 Ų67128 Ų12869%0.69179%0.788SS**  trans113.688.3138.100000114.9
61A42.7Very low43.1Very low97 Ų97130.9 Ų130.980%0.80279%0.792SS**  79.2129.778.500000116
62Q40.8Very low43.2Very low195 Ų195129.2 Ų129.291%0.91180%0.796SS**  trans108.8108.6151.6-52.3-160.488.900119.3
63S43.4Very low43.7Very low113 Ų113122.1 Ų122.179%0.7980%0.795SS**  trans-72.7-170153.2-43.30000110
64P52.7Low44.1Very low109 Ų109126.2 Ų126.271%0.70880%0.8SS**  cis-155.5-173.81943.6-19.4000119.3
65L41Very low44.8Very low152 Ų152125.4 Ų125.480%0.79679%0.792SS**  trans65.4129.7144.1-75.5162.6000124
66F40.5Very low44.9Very low189 Ų189125.8 Ų125.883%0.82980%0.795SS**  -178.7154.4105.6-125.2-97.2000116.4
67S42.5Very low44.9Very low104 Ų104126.2 Ų126.273%0.72780%0.797SS**  trans-30.6162.3177.1-57.60000120.9
68G37.8Very low44.8Very low67 Ų67131.4 Ų131.469%0.69180%0.804SS**  cis113.9132.418.800000111.3
69V46Very low44.7Very low145 Ų145127.8 Ų127.888%0.87980%0.801SS**  trans175.6127.9153.4151.70000114.1
70A45Very low44.8Very low85 Ų85129 Ų12970%0.70280%0.801SS**  trans53.9148.7144.400000123.4
71E44.8Very low45.2Very low199 Ų199131.7 Ų131.793%0.9381%0.807SS**  cis-171.6150.8-1.7-113.3-178.9167.400109.9
72G51Low45Very low84 Ų84134.9 Ų134.987%0.86680%0.803SS**  trans118.4104.7144.200000122
73G49.4Very low45.1Very low88 Ų88131.5 Ų131.591%0.90779%0.791SS**  trans114.2116.9144.600000119.9
74M50.6Low45.1Very low181 Ų181132.2 Ų132.289%0.89279%0.786SS**  trans-110.7-174.5-168.2-104.1-141.2131.800113.9
75P56Low44.3Very low98 Ų98134.6 Ų134.664%0.63679%0.791SS**  -133.7-143.9-88.442.9-18000110.7
76P51.5Low44.6Very low119 Ų119134.5 Ų134.577%0.77379%0.79SS**  cis-126.4149.9-30.935.3-17.7000113.9
77S43.8Very low44.3Very low123 Ų123132 Ų13286%0.8679%0.786SS**  trans-153.6144.715181.80000111.6
78M40.5Very low44.3Very low185 Ų185136.4 Ų136.491%0.91179%0.792SS**  trans-80.1135.7-158.9-55.7-152.493.100115.3
79S38.4Very low44Very low104 Ų104137.9 Ų137.973%0.72779%0.792SS**  trans175.6158139.4-960000112
80Y42.8Very low43.6Very low204 Ų204140.3 Ų140.380%0.879%0.79SS**  trans94.9147.9172.6-65.4-69000116.3F82Y80-F82 HydrophobicContact CD1-CB 4.46Å
81P47.7Very low43.5Very low124 Ų124143 Ų14381%0.80580%0.798SS**  cis-129.8147.549.532-10.9000114.9
82F38.7Very low43Very low165 Ų165137.2 Ų137.272%0.72479%0.792SS**  67.6138.451.3-139.4-105.2000115.2Y80Y80-F82 HydrophobicContact CD1-CB 4.46Å
83L43.2Very low42.6Very low124 Ų124138.1 Ų138.165%0.64979%0.785SS**  trans90.4133.8168.5-53.7179.1000116.6
84N42Very low42.2Very low128 Ų128145.4 Ų145.468%0.68479%0.785SS**  cis-164.3151.411-120.7-32.1000111.3
85L36.6Very low41.5Very low158 Ų158140.3 Ų140.383%0.82778%0.779SS**  trans-65.2133.6166.3-17376.1000110.8
86I46.7Very low40.7Very low150 Ų150141 Ų14177%0.76979%0.787SS**  trans-150.2122150.8-75.2109.6000109.2F88I86-F88 HydrophobicContact CG2-CD2 4.34Å
87D34.3Very low40.2Very low138 Ų138143.2 Ų143.274%0.73879%0.788SS**  trans-96139.5167.3-167.4-0.7000108.5
88F42.7Very low40.1Very low196 Ų196144.8 Ų144.886%0.8678%0.784SS**  trans-165.8107.4160.8-106.4-73.3000112.1I86I86-F88 HydrophobicContact CG2-CD2 4.34Å
89S33.3Very low40.3Very low98 Ų98143.3 Ų143.369%0.68578%0.778SS**  trans-73.5147.7164.853.10000113.1
90K36.2Very low40.5Very low196 Ų196143.8 Ų143.885%0.85278%0.779SS**  trans88.4106.1147.4-143.3173.5-170.5176.60118.1
91T43.2Very low40.3Very low141 Ų141139.7 Ų139.787%0.86578%0.776SS**  164.2135.7113.742.30000110.3
92G34.8Very low39.8Very low78 Ų78142.6 Ų142.680%0.80478%0.778SS**  trans-104.2172.2179.900000113.7
93S41.8Very low40Very low102 Ų102139.4 Ų139.471%0.71378%0.782SS**  146118.9129.5-165.40000113.9
94R40.6Very low39.8Very low241 Ų241139 Ų13991%0.90979%0.789SS**  trans62.3118.3137.9-68.7177.9154.2130.4-3.1122.5
95G37.7Very low40Very low75 Ų75138.8 Ų138.877%0.77380%0.796SS**  116.3104.9103.700000120.3
96S38.4Very low40.1Very low113 Ų113136.5 Ų136.579%0.7979%0.792SS**  trans58.1117.7130.8-179.20000122.3
97M40.2Very low39.9Very low164 Ų164141 Ų14181%0.80880%0.801SS**  trans-167.9113.2131.2-149.1162.6-121.500114.3
98M42.8Very low40.2Very low156 Ų156137.7 Ų137.777%0.76880%0.8SS**  trans51.2136.5136.3-33-77.917400124.2
99I44.3Very low39.8Very low154 Ų154133.8 Ų133.879%0.7980%0.797SS**  trans-81.7165.2171.1-34.9173.9000110.5
100P41.9Very low40.7Very low114 Ų114134.5 Ų134.574%0.7480%0.799SS**  -153.9140.488.231.4-7.9000117.9
101T39.7Very low40.7Very low119 Ų119134.7 Ų134.773%0.7380%0.796SS**  trans50.2132.6133.4-6.70000122.6
102Q36.5Very low40.7Very low185 Ų185138 Ų13886%0.86480%0.799SS**  171.5129106.4-85.8-171.891.300114.9
103A43.1Very low40.8Very low98 Ų98138.1 Ų138.181%0.8179%0.788SS**  trans68.5119.6141.100000123.3
104S39.7Very low40.5Very low114 Ų114137.2 Ų137.280%0.79779%0.786SS**  trans-86.6164.8161.5-43.10000112
105P45.9Very low40.6Very low125 Ų125134.2 Ų134.281%0.81279%0.785SS**  -144.6130.811129.6-11000113
106S38Very low40.5Very low109 Ų109139.6 Ų139.676%0.76279%0.79SS**  62.8105.987.4-172.80000116.5
107Y43.9Very low40.9Very low244 Ų244142.2 Ų142.296%0.95779%0.794SS**  trans-177.8133.9148.3-105.2-82.3000105.1
108G38.6Very low40.7Very low69 Ų69137.3 Ų137.371%0.71179%0.786SS**  cis145.5111.515.200000105.8
109S35.5Very low40.6Very low115 Ų115137.7 Ų137.780%0.80479%0.79SS**  trans-75.6156.9-180164.30000111.9
110P51.9Low40.5Very low112 Ų112137.9 Ų137.973%0.72779%0.792SS**  trans-107.9128.3148.732.3-20.8000111.4
111Y36.5Very low40.6Very low201 Ų201137.6 Ų137.679%0.78880%0.799SS**  trans-75.6137.1162-157.7-99.3000107.8
112F42.2Very low40.6Very low209 Ų209136.4 Ų136.492%0.91780%0.801SS**  trans-133.5119.1158.1-101.4-76.7000109.7
113S37.1Very low40.9Very low81 Ų81138.3 Ų138.357%0.56680%0.801SS**  trans-120.8133.7177.8154.60000107.7
114A36Very low41Very low83 Ų83141.3 Ų141.369%0.68680%0.803SS**  trans62.4141.1142.200000121.9
115M41.8Very low41Very low179 Ų179141.3 Ų141.388%0.88280%0.803SS**  trans74.5100.1157.5-64.4-174.4-179.700118.4
116E36.7Very low41.3Very low187 Ų187141.2 Ų141.287%0.87480%0.802SS**  174.5156.1120.4-109.6179.8112.500111.3
117L46.9Very low41.5Very low168 Ų168143.1 Ų143.188%0.8880%0.801SS**  trans82.7103179.2-58.3161000114.6
118G35.4Very low41.5Very low62 Ų62140.9 Ų140.964%0.63980%0.797SS**  cis78.3108.325.300000110.6
119L41.6Very low41.5Very low163 Ų163140.7 Ų140.785%0.85379%0.794SS**  trans96.3122.4164.4-73.2127.4000120.2
120L41.9Very low41.8Very low159 Ų159141 Ų14183%0.83280%0.796SS**  trans81.289.6155.3-80.779.1000120
121A43.5Very low41.4Very low107 Ų107143.4 Ų143.488%0.88480%0.802SS**  -165.478.7127.500000109.9
122A39.2Very low42.5Very low94 Ų94139.8 Ų139.878%0.77780%0.803SS**  trans-76.8153.3165.500000110.2
123R42.5Very low43Very low226 Ų226135.7 Ų135.785%0.85380%0.798SS**  trans97.791.2164.3-57.6176.6138.8131.3-1.8116.2
124N45.3Very low43.3Very low160 Ų160137.5 Ų137.586%0.85681%0.81SS**  174.7107.299.8-79.6-31.2000110.8
125S40.5Very low44.1Very low115 Ų115139 Ų13980%0.80481%0.813SS**  trans-122.9148.6154.1-76.20000106.7
126P51.9Low44.1Very low122 Ų122136.1 Ų136.179%0.79281%0.811SS**  -139.9131.599.730.6-13.4000111.7
127M43.3Very low44.7Very low150 Ų150138 Ų13874%0.73981%0.811SS**  65.3134.484.6-91.8-145.57700116.6
128F43.6Very low44.3Very low197 Ų197132.9 Ų132.986%0.86480%0.799SS**  trans81.8129.1179.7-68.5-90.1000114.6
129G38.3Very low44.8Very low64 Ų64138.5 Ų138.566%0.6681%0.814SS**  cis148.5131.810.800000108.1
130S40.8Very low44.8Very low121 Ų121136.1 Ų136.185%0.84681%0.811SS**  trans82.7107.7157.2-50.70000121.2
131L44.3Very low45.2Very low164 Ų164133.9 Ų133.986%0.85981%0.806SS**  trans20.7134.6133.1-65.2157.3000120.6
132P60.8Low45.3Very low124 Ų124135.6 Ų135.681%0.80580%0.799SS**PPolyproline II helixtrans-95.2138.9156.334.6-27.8000112.4
133P52.7Low45.4Very low123 Ų123137.5 Ų137.580%0.79980%0.797SS**PPolyproline II helixtrans-97.2154.517136-29.1000112.8
134S43.2Very low45.5Very low119 Ų119131.6 Ų131.683%0.83279%0.79SS**PPolyproline II helixtrans-66.9146.9173.8-43.90000112.9
135P51.9Low46Very low115 Ų115129.4 Ų129.475%0.74778%0.784SS**PPolyproline II helixtrans-100.5125.1167.533.6-23.9000111.3Y137P135-Y137 HydrophobicContact CB-CD2 4.47Å; P135-Y137 HydrophobicContact CB-CE2 4.38Å
136S42.2Very low46.3Very low119 Ų119129.5 Ų129.583%0.83278%0.78SS**  trans-120.3118.5161.9-172.30000106.8
137Y48.8Very low46.2Very low225 Ų225129.4 Ų129.488%0.88278%0.777SS**  trans-123.6113.7169.3-74.6-79.5000108.1P135P135-Y137 HydrophobicContact CB-CD2 4.47Å; P135-Y137 HydrophobicContact CB-CE2 4.38Å
138G38.8Very low46.2Very low61 Ų61129 Ų12963%0.62978%0.779SS**  trans-87159.515400000109.7
139L45.3Very low46.4Very low181 Ų181126 Ų12695%0.94878%0.776SS**  171.2126.7118.8-82.7176.7000109.1
140S43Very low46.8Very low113 Ų113126.5 Ų126.579%0.7977%0.774SS**  trans-69.8-178.4165.3-34.70000110.2
141P50.4Low47.4Very low111 Ų111128.4 Ų128.472%0.72177%0.773SS**  cis-159.1-176.848.640.5-15.6000118.9
142L44.6Very low47.6Very low143 Ų143125.6 Ų125.675%0.74977%0.765SS**  trans104.9128.6139.1-116.775.8000121.6
143N41.2Very low46.9Very low135 Ų135126 Ų12672%0.72277%0.765SS**  trans74.9101.7157.4-67.8-19.1000119.2
144S45Very low47Very low102 Ų102128.2 Ų128.271%0.71377%0.768SS**  82.3159.167.3710000114.3
145P55Low46.9Very low113 Ų113126 Ų12673%0.73476%0.763SS**  -132.2-174.1-50.836.4-19.2000111.6
146T46.7Very low46.5Very low118 Ų118130.1 Ų130.172%0.72477%0.77SS**  trans162.5111.8137.1-68.40000113.6
147T50.8Low46.9Very low119 Ų119130.6 Ų130.673%0.7377%0.77SS**  trans43.2143145.471.30000120.8
148N43.9Very low46.9Very low143 Ų143127.1 Ų127.177%0.76576%0.762SS**  cis-169.513626.5-133.6-50.3000104.2
149T47.9Very low47.1Very low132 Ų132131.6 Ų131.681%0.8176%0.764SS**  177.8119.399.1-55.50000109.9
150A46.1Very low47.2Very low75 Ų75132.1 Ų132.162%0.6276%0.759SS**  trans33.4112.3150.100000122.5
151I53.4Low47.2Very low161 Ų161132.3 Ų132.383%0.82676%0.758SS**  96.1139.580-76.4161.7000113.4
152P48.9Very low46.8Very low106 Ų106135.9 Ų135.969%0.68877%0.77SS**  cis-139.1152.2-24.836.2-15000117.2
153V44.4Very low47.1Very low132 Ų132136.4 Ų136.480%0.877%0.773SS**  30.5120.6129.8-170.50000121.5
154I55.9Low47.6Very low170 Ų170134.8 Ų134.887%0.87277%0.77SS**  trans-177.6106.2131.5-86.9147.8000104.6
155G41.5Very low47.7Very low71 Ų71136.8 Ų136.873%0.73278%0.778SS**  98.494.185.400000111.5
156K42.1Very low47.2Very low203 Ų203135.6 Ų135.688%0.88378%0.777SS**  trans-76.7155.6165.5-74.7168.3175.9170.90109.6
157P51.3Low47.3Very low129 Ų129139.5 Ų139.584%0.83879%0.787SS**  -137160.512834.4-20.5000113.9
158Q49.1Very low46.8Very low152 Ų152138.8 Ų138.871%0.7179%0.787SS**  trans-107.5159.7178.4-65.2-114.4-70.500111.2
159F42.3Very low47.1Very low154 Ų154141.8 Ų141.868%0.67580%0.796SS**  trans64.7127.7150-74.1-68.9000121.7
160F48Very low46.8Very low193 Ų193141.7 Ų141.785%0.84680%0.796SS**  145.3129.9117.3-78-68.1000112.3
161P41.9Very low46.8Very low117 Ų117142.9 Ų142.976%0.7680%0.8SS**  trans-102.9142.2166.835.8-25.9000111.7
162L43.8Very low46.6Very low185 Ų185142.2 Ų142.297%0.96980%0.798SS**  trans-162140.6161-105.5150.3000110.8
163L49.4Very low46.7Very low155 Ų155144.7 Ų144.781%0.81281%0.805SS**  trans-101.5-165-177.3-161.777000109.1
164P53.4Low46.9Very low101 Ų101143 Ų14366%0.65680%0.797SS**  -108-173.6-81.629.4-12000113.8
165T46.5Very low46.4Very low144 Ų144139.3 Ų139.388%0.88379%0.786SS**  -166.7150129.9-780000112.1
166A45.1Very low46.5Very low87 Ų87145 Ų14572%0.71979%0.791SS**  trans-82.7167.6-165.100000117.1
167Q47.5Very low46.8Very low200 Ų200142.2 Ų142.294%0.93578%0.784SS**  trans-159142.3141.5-108.41753.300112.2
168S41Very low46.6Very low105 Ų105145.1 Ų145.173%0.73478%0.779SS**  trans-106.9148.4-161.646.30000113.9
169Q49.5Very low46.4Very low205 Ų205145.4 Ų145.496%0.95878%0.778SS**  trans-149.7151.4149.4-66.6-163.510.600112
170T41.9Very low46.2Very low130 Ų130142.7 Ų142.780%0.79878%0.778SS**  trans-111.5154.4-151.655.20000114.1
171S47.2Very low45.8Very low101 Ų101141.2 Ų141.271%0.70678%0.779SS**  166.4122.3124.160.50000114.6
172N47.2Very low46Very low146 Ų146139.6 Ų139.678%0.78178%0.775SS**  trans50.7141132-55-30.2000121.3
173L53Low46.3Very low159 Ų159139.1 Ų139.183%0.83277%0.772SS**  cis-172.4174.6-0.6-97.8176.9000107.3
174P47.2Very low46Very low97 Ų97135.1 Ų135.163%0.6377%0.768SS**  trans-126-177.2-142.445.4-34.2000118.3
175S44.9Very low45.8Very low92 Ų92138.2 Ų138.264%0.64378%0.779SS**  trans67.4136.5149.5-63.90000120.7
176F45.3Very low45.8Very low191 Ų191137.6 Ų137.684%0.83878%0.777SS**  171.5120.2117.7-70.7-57.8000111.1
177L46.4Very low45.6Very low143 Ų143141.5 Ų141.575%0.74979%0.785SS**  trans41.4144.9130.7-52.5179.8000119.2
178R48.6Very low45.5Very low191 Ų191136.1 Ų136.172%0.72178%0.775SS**  cis176.4154.219.7-121.8169.7179.1-164.76.9108.3
179F44Very low45.6Very low158 Ų158135.9 Ų135.969%0.69377%0.773SS**  trans74.5113.5144-69.3-52.5000124.2
180S39.2Very low45.5Very low96 Ų96134.3 Ų134.367%0.67177%0.768SS**  90.4114.1114.6-62.20000121.4
181N39.2Very low45.8Very low162 Ų162132.2 Ų132.287%0.86676%0.764SS**  trans32.4121.1134.2-68.23.1000118.9
182A45.5Very low46.1Very low83 Ų83136.1 Ų136.169%0.68677%0.771SS**  163127.9101.700000112.1
183I50.7Low46.2Very low176 Ų176135.8 Ų135.890%0.90377%0.774SS**  trans65.6116.4142.1-53.4163.8000118.3
184G41.7Very low45.8Very low70 Ų70133.7 Ų133.772%0.72277%0.773SS**  trans130.6112.7145.100000115.9
185N49.8Very low45.6Very low166 Ų166137.1 Ų137.189%0.88879%0.785SS**  trans-33.5136.3172.2-83-26.6000116.1
186P47.1Very low46.1Very low131 Ų131138.8 Ų138.885%0.85179%0.793SS**  trans-93.3105.4162.333.2-26.4000110.7
187L41Very low46Very low169 Ų169133.9 Ų133.989%0.88579%0.788SS**  trans-89.9133.2153.1-175.266.9000107.6
188A44.1Very low46.1Very low87 Ų87134 Ų13472%0.71980%0.795SS**  trans72.790.2164.100000118.6
189S43.2Very low46Very low100 Ų100130.5 Ų130.570%0.69980%0.795SS**  -162.8128.3129.5-840000103.9
190M49.1Very low46.3Very low173 Ų173130 Ų13085%0.85280%0.799SS**  -173.6144.952.332.1-148.974.700107.7
191A47.6Very low47.2Very low86 Ų86131.1 Ų131.171%0.71180%0.802SS**  trans-41.7153.5160.500000110.1
192Q53.1Low47.6Very low182 Ų182129.9 Ų129.985%0.8580%0.8SS**  -170.2141.977-24.5-171.7-9.600103.4
193V48.9Very low47.9Very low139 Ų139132.7 Ų132.784%0.84281%0.809SS**  -173.5138.167.7-146.30000110
194S44.6Very low47.8Very low116 Ų116128.3 Ų128.381%0.81179%0.794SS**  trans27.4124.9155.1-72.30000125.2
195L43.4Very low48.5Very low169 Ų169131.8 Ų131.889%0.88580%0.801SS**  trans-126.8140.5146.1-82.4140.4000108.3
196P55.3Low48.7Very low126 Ų126127.1 Ų127.182%0.81879%0.785SS**  trans-92.7139166.733.2-26.9000112.1
197A43.3Very low49Very low89 Ų89126.4 Ų126.474%0.73678%0.783SS**  trans-76.4159.4174.700000112.6
198V47.8Very low49.6Very low146 Ų146127 Ų12789%0.88578%0.779SS**  -166.8142.9115.1-96.10000112.3
199T47.6Very low50.2Low117 Ų117130.4 Ų130.472%0.71878%0.782SS**  trans-74.5159.2-179.549.40000114.1
200N50.7Low50.7Low148 Ų148129.9 Ų129.979%0.79178%0.784SS**  trans177105.7137.7-87.3-25.1000109.3
201T56.6Low51Low118 Ų118133.1 Ų133.172%0.72479%0.787SS**  55.9109.993.551.30000116.7
202V47.5Very low51.3Low136 Ų136136.9 Ų136.982%0.82479%0.789SS**  trans-5.4123.5154.4-78.40000118
203T53.4Low50.8Low142 Ų142135.5 Ų135.587%0.87179%0.788SS**  trans-161125.4151.2-73.10000112.5
204S47.7Very low50.5Low85 Ų85134.1 Ų134.159%0.59478%0.784SS**  trans78.7108.4149.8-136.40000122.6A206S204-A206 PolarHBondContact O-N 3.25Å
205V56.3Low50.3Low142 Ų142134.1 Ų134.186%0.86178%0.78SS**G310 helixtrans-5323.1155.1-70.80000115.6
206A53.8Low50.3Low68 Ų68130.9 Ų130.956%0.56277%0.771SS**G310 helixtrans-85-15.4-174.800000114.5S204 F208S204-A206 PolarHBondContact O-N 3.25Å; A206-F208 PolarHBondContact O-N 2.95Å
207S53.7Low49.5Very low116 Ų116132 Ų13281%0.81177%0.771SS**G310 helixtrans-84.5-2.6-175.7-58.30000115
208F54.7Low49.4Very low181 Ų181133.6 Ų133.679%0.79478%0.776SS**G310 helixtrans-93.3-9.5-175.6-161.1-103.1000114.3A206A206-F208 PolarHBondContact O-N 2.95Å
209M56.7Low49.1Very low160 Ų160133.8 Ų133.879%0.78877%0.772SS**SBendtrans-111.8-1.5-175.9-66.2-155.4148.500115.8R211M209-R211 PolarHBondContact O-N 3.27Å
210A53.7Low48.8Very low89 Ų89137.4 Ų137.474%0.73678%0.781SS**THydrogen-bonded Turntrans-89.913.4-17900000115
211R55.4Low48.3Very low240 Ų240139.5 Ų139.591%0.90679%0.786SS**THydrogen-bonded Turntrans-112.722.8-177.3-77.7-167.9173.6-144.7-0.4114.6M209M209-R211 PolarHBondContact O-N 3.27Å
212Q52.9Low47.3Very low165 Ų165142.2 Ų142.277%0.77179%0.788SS**  trans-119130.4173.2-48.3-165.320.600108
213N41.9Very low47Very low154 Ų154145.4 Ų145.482%0.82479%0.794SS**  trans10382.2166-140.724.7000118.3
214S42.9Very low46.5Very low109 Ų109147.7 Ų147.776%0.76280%0.795SS**  trans-177.883.3145.745.20000108.4
215T41.5Very low46.1Very low116 Ų116147.6 Ų147.671%0.71279%0.787SS**  57.5106.992.260.30000116.2
216S42.1Very low45.2Very low101 Ų101145.2 Ų145.271%0.70679%0.791SS**  trans70.9122133.559.30000122.9
217N38.9Very low44.5Very low151 Ų151152.1 Ų152.181%0.80780%0.804SS**  trans71.999.1142.7-65.9-18.5000120.4
218S42.7Very low44Very low122 Ų122150.4 Ų150.485%0.85379%0.789SS**  trans-171.7101.6134.851.40000108.6
219D40.2Very low43.3Very low150 Ų150151.3 Ų151.380%0.80279%0.793SS**  trans-73.2165.6168-70.7-63.4000111.1
220E40.7Very low42.8Very low192 Ų192155.4 Ų155.490%0.89780%0.8SS**  trans100.7138166.9-49.8-162.6117.300117.5
221E40.8Very low42.6Very low192 Ų192159.4 Ų159.490%0.89781%0.807SS**  trans74.682.1-174.7-76.2-170.7100.200119
222K36Very low42.1Very low175 Ų175155.1 Ų155.176%0.76180%0.803SS**  trans-163.778.3146.3-114.5163.3-172.5171.40114
223Q40.5Very low42Very low204 Ų204156.7 Ų156.795%0.95381%0.81SS**SBendtrans-135.960.9158.9-74.1-169.49.500110.6
224Q44.4Very low42Very low190 Ų190152.7 Ų152.789%0.88881%0.805SS**SBendtrans-150.616.8166.9-124.3178.514.400113.8
225D37.9Very low42.1Very low82 Ų82154.6 Ų154.644%0.43981%0.812SS.*  trans-119.834.2-164.2-100.2-28.2000114.7Y227 T228D225-Y227 PolarHBondContact O-N 2.76Å; D225-Y227 VanDerWaalsContact O-N 3.16Å; D225-T228 WeakPolarHBondContact CB-OG1 3.35Å; D225-T228 PolarHBondContact O-N 2.86Å; D225-T228 PolarHBondContact O-OG1 3.21Å; D225-T228 PolarHBondContact OD1-OG1 2.96Å
226G36.8Very low42.6Very low92 Ų92156.5 Ų156.595%0.94881%0.81SS**THydrogen-bonded Turntrans-68.8-3.9174.900000115.3
227Y39.3Very low42.6Very low213 Ų213158 Ų15884%0.83582%0.818SS**THydrogen-bonded Turntrans-109.7-5-179.3-171.9-104000114D225D225-Y227 PolarHBondContact O-N 2.76Å; D225-Y227 VanDerWaalsContact O-N 3.16Å
228T44.2Very low42.9Very low80 Ų80159.7 Ų159.749%0.49181%0.813SS.*SBendtrans-115.59.8-164.151.70000115.8D225D225-T228 WeakPolarHBondContact CB-OG1 3.35Å; D225-T228 PolarHBondContact O-N 2.86Å; D225-T228 PolarHBondContact O-OG1 3.21Å; D225-T228 PolarHBondContact OD1-OG1 2.96Å
229K40Very low43Very low200 Ų200162.5 Ų162.587%0.8781%0.813SS**  trans-115.150.6-176.1-151177.1-175.8178.70116.2
230R45.6Very low43.1Very low247 Ų247159.6 Ų159.693%0.93281%0.809SS**  trans-128.328.9160.7-72.6-160.1-170.8-159.65.2113.5
231L49.6Very low43.7Very low172 Ų172159.1 Ų159.190%0.90180%0.799SS**  trans-108.573.4172.2-85.8168.7000109.9
232D44.7Very low44.7Very low151 Ų151156 Ų15681%0.80779%0.787SS**  trans-172.176.7152.2-168.934.1000108.8
233Q51.1Low46.3Very low197 Ų197151.9 Ų151.992%0.92178%0.781SS**SBendtrans-158.894.7166.9-114.1171.464.200110.9
234G42.1Very low48Very low71 Ų71146.6 Ų146.673%0.73276%0.756SS**  trans82.395.9145.500000116.6K236G234-K236 PolarHBondContact O-N 2.82Å
235V45.3Very low50Low149 Ų149139 Ų13990%0.90372%0.721SS**  trans-48.1100.4162.6-179.40000110.4
236K50.9Low52.4Low155 Ų155142.4 Ų142.467%0.67473%0.732SS**  trans-126.2121.7153.6-76.3-177.7178.5175.90105.6G234 R238G234-K236 PolarHBondContact O-N 2.82Å; K236-R238 PolarHBondContact O-N 3.42Å
237P42.7Very low55Low133 Ų133142.5 Ų142.586%0.86471%0.706SS**  trans-71.386.5177.629.7-30.6000107.5
238R44.9Very low57.6Low186 Ų186133.9 Ų133.970%0.70268%0.676SS**  trans-94.9105.1167-70.8-176173.3178.1-2.1104.8K236 A240K236-R238 PolarHBondContact O-N 3.42Å; R238-A240 PolarHBondContact O-N 3.29Å
239E46.1Very low60Low182 Ų182132.9 Ų132.985%0.8567%0.667SS**  trans-13.1107.2160.4-151.973.1-157.300110.1R241E239-R241 PolarHBondContact O-N 3.45Å
240A42Very low62.7Low88 Ų88127.7 Ų127.773%0.72765%0.65SS**  trans-46.4110.5-17100000108.5R238 I242R238-A240 PolarHBondContact O-N 3.29Å; A240-I242 VanDerWaalsContact C-N 3.27Å; A240-I242 PolarHBondContact O-N 2.95Å
241R53.8Low65.1Low183 Ų183116 Ų11669%0.69161%0.606SS**  trans-56.1106.9164.8-65.1178.8-178.5-1688103E239 S243E239-R241 PolarHBondContact O-N 3.45Å; R241-S243 VanDerWaalsContact C-N 3.35Å; R241-S243 WeakPolarHBondContact O-CA 3.39Å; R241-S243 PolarHBondContact O-N 2.88Å
242I59.8Low67.4Low125 Ų125110.5 Ų110.564%0.64158%0.575SS**  trans-40.8110.4172.8-61.1167.6000104.6A240 H244 I322A240-I242 VanDerWaalsContact C-N 3.27Å; A240-I242 PolarHBondContact O-N 2.95Å; I242-H244 PolarHBondContact O-N 3.06Å; I242-I322 HydrophobicContact CD1-CD1 4.36Å
243S70.4Confident69.8Low89 Ų89107.7 Ų107.762%0.62256%0.558SS**  trans-57.6119.3-168.940.50000105.9R241 I245R241-S243 VanDerWaalsContact C-N 3.35Å; R241-S243 WeakPolarHBondContact O-CA 3.39Å; R241-S243 PolarHBondContact O-N 2.88Å; S243-I245 VanDerWaalsContact C-N 3.34Å; S243-I245 WeakPolarHBondContact O-CG1 3.43Å; S243-I245 PolarHBondContact O-N 3.4Å
244H76.9Confident72Confident93 Ų9399.6 Ų99.643%0.43152%0.521SS..  trans-59100-179.8172.872.5000108.5I242 K246 N319 H323I242-H244 PolarHBondContact O-N 3.06Å; H244-K246 PolarHBondContact O-N 3.29Å; H244-N319 PolarHBondContact CE1-OD1 2.76Å; H244-N319 PolarHBondContact ND1-OD1 3.04Å; H244-H323 WeakPolarHBondContact CB-NE2 3.48Å; H244-H323 AromaticContact CE1-NE2 3.93Å; H244-H323 AromaticContact CG-CE1 3.65Å; H244-H323 AromaticContact CG-NE2 3.31Å; H244-H323 VanDerWaalsContact CG-NE2 3.31Å; H244-H323 AromaticContact ND1-CD2 3.41Å; H244-H323 PolarHBondContact ND1-CD2 3.09Å; H244-H323 AromaticContact ND1-CE1 3.54Å; H244-H323 AromaticContact ND1-NE2 2.95Å; H244-H323 PolarHBondContact ND1-NE2 2.91Å
245I85.3Confident74.6Confident32 Ų3296.4 Ų96.416%0.16449%0.486CS..PPolyproline II helixtrans-77.2117.1176.8-65.6154.9000106.6S243 H307 Y311 W314 N319S243-I245 VanDerWaalsContact C-N 3.34Å; S243-I245 WeakPolarHBondContact O-CG1 3.43Å; S243-I245 PolarHBondContact O-N 3.4Å; I245-H307 WeakPolarHBondContact CG2-NE2 3.46Å; I245-Y311 HydrophobicContact CD1-CD1 3.47Å; I245-Y311 VanDerWaalsContact CD1-CD1 3.47Å; I245-Y311 HydrophobicContact CD1-CE1 3.69Å; I245-Y311 HydrophobicContact CD1-CG 3.96Å; I245-Y311 HydrophobicContact CG1-CD1 4.1Å; I245-Y311 HydrophobicContact CG1-CE1 3.86Å; I245-Y311 HydrophobicContact CG2-CD1 4.44Å; I245-Y311 HydrophobicContact CG2-CD2 3.65Å; I245-Y311 HydrophobicContact CG2-CE1 4.39Å; I245-Y311 HydrophobicContact CG2-CE2 3.6Å; I245-Y311 HydrophobicContact CG2-CG 4.07Å; I245-W314 HydrophobicContact CG2-CG 4.42Å; I245-W314 PolarHBondContact O-NE1 3.41Å; I245-N319 PolarHBondContact N-ND2 2.89Å; I245-N319 PolarHBondContact O-ND2 3.44Å
246K89.1Confident76.9Confident152 Ų15290.2 Ų90.266%0.66145%0.448SS*.PPolyproline II helixtrans-67152178.3-65.4-178.1177.9-176.70110.1H244 H307H244-K246 PolarHBondContact O-N 3.29Å; K246-H307 PolarHBondContact O-NE2 2.74Å; K246-H307 VanDerWaalsContact O-NE2 3.11Å
247K91.2Very high79Confident94 Ų9490.2 Ų90.241%0.40945%0.448SS..PPolyproline II helixtrans-60.7149.2174.1-55.9-170.8135.4-167.90111.5W314 Y320K247-W314 HydrophobicContact CB-CH2 4.14Å; K247-W314 HydrophobicContact CB-CZ2 4.34Å; K247-W314 HydrophobicContact CG-CH2 3.85Å; K247-W314 HydrophobicContact CG-CZ2 3.89Å; K247-Y320 HydrophobicContact CD-CE2 4.32Å; K247-Y320 VanDerWaalsContact CD-OH 3.28Å; K247-Y320 WeakPolarHBondContact CD-OH 3.18Å; K247-Y320 WeakPolarHBondContact CE-OH 3.34Å; K247-Y320 VanDerWaalsContact NZ-CZ 3.35Å; K247-Y320 PolarHBondContact NZ-OH 3.23Å
248P93.7Very high81.5Confident32 Ų3288.5 Ų88.521%0.20843%0.428CS..PPolyproline II helixtrans-58.3140.8169.724.5-32.6000110.3N250 E303 R304 H307P248-N250 PolarHBondContact O-N 3.31Å; P248-E303 HydrophobicContact CB-CG 4.44Å; P248-R304 HydrophobicContact CB-CB 4.38Å; P248-R304 HydrophobicContact CG-CG 4.32Å; P248-H307 HydrophobicContact CB-CB 3.87Å; P248-H307 HydrophobicContact CG-CB 4.33Å
249L94.2Very high83.8Confident59 Ų5980.6 Ų80.631%0.30940%0.399SS..PPolyproline II helixtrans-70.8129.9-177.1-86.764.8000110.4M253 L254 K257 E303L249-M253 HydrophobicContact CB-CB 4.16Å; L249-M253 HydrophobicContact CD2-CB 4.45Å; L249-M253 HydrophobicContact CG-CB 4.09Å; L249-L254 HydrophobicContact CB-CD2 3.85Å; L249-L254 HydrophobicContact CB-CG 4.07Å; L249-L254 HydrophobicContact CD2-CD2 3.94Å; L249-K257 HydrophobicContact CD2-CD 4.42Å; L249-E303 HydrophobicContact CB-CG 4.38Å
250N96.7Very high86Confident92 Ų9274.5 Ų74.549%0.49237%0.369SS..PPolyproline II helixtrans-75166.2170.3-166.6-2.7000110.9P248 F252 M253 L254P248-N250 PolarHBondContact O-N 3.31Å; N250-F252 PolarHBondContact O-N 3.31Å; N250-M253 HydrophobicContact CB-CG 4.32Å; N250-M253 WeakPolarHBondContact O-CA 3.28Å; N250-M253 WeakPolarHBondContact O-CB 3.43Å; N250-M253 PolarHBondContact O-N 3.09Å; N250-L254 PolarHBondContact O-N 3.26Å
251A97.1Very high88.3Confident1 Ų173.9 Ų73.91%0.00836%0.357CS..Hα-helixtrans-50.8-51.1-179.800000112.6M253 L254 Y255 W285 Y297 A300A251-M253 VanDerWaalsContact C-N 3.3Å; A251-M253 PolarHBondContact O-N 3.08Å; A251-L254 WeakPolarHBondContact O-CB 3.29Å; A251-L254 PolarHBondContact O-N 2.89Å; A251-L254 VanDerWaalsContact O-N 3.16Å; A251-Y255 PolarHBondContact O-N 3.46Å; A251-W285 HydrophobicContact CB-CH2 3.91Å; A251-W285 HydrophobicContact CB-CZ2 4.24Å; A251-Y297 HydrophobicContact CB-CD1 3.99Å; A251-Y297 HydrophobicContact CB-CE1 4.21Å; A251-Y297 HydrophobicContact CB-CG 4.24Å; A251-A300 HydrophobicContact CB-CB 4.08Å; A251-A300 VanDerWaalsContact N-CB 3.33Å
252F96.4Very high90.1Very high57 Ų5769.1 Ų69.125%0.2534%0.343CS..Hα-helixtrans-62.9-35.5177178.4-117.1000112.7N250 L254 Y255 M256 W285N250-F252 PolarHBondContact O-N 3.31Å; F252-L254 VanDerWaalsContact C-N 3.34Å; F252-Y255 HydrophobicContact CD2-CD1 4.18Å; F252-Y255 HydrophobicContact CE2-CD1 4.25Å; F252-Y255 PolarHBondContact O-N 3.06Å; F252-M256 HydrophobicContact CD1-CE 3.54Å; F252-M256 HydrophobicContact CD1-CG 4.31Å; F252-M256 HydrophobicContact CD1-SD 4.13Å; F252-M256 HydrophobicContact CD2-CG 4.29Å; F252-M256 HydrophobicContact CE1-CE 3.3Å; F252-M256 HydrophobicContact CE1-CG 3.86Å; F252-M256 HydrophobicContact CE1-SD 3.36Å; F252-M256 WeakPolarHBondContact CE1-SD 3.33Å; F252-M256 HydrophobicContact CE2-CG 3.83Å; F252-M256 HydrophobicContact CE2-SD 4.31Å; F252-M256 HydrophobicContact CG-CE 4.42Å; F252-M256 HydrophobicContact CZ-CE 4.03Å; F252-M256 HydrophobicContact CZ-CG 3.59Å; F252-M256 HydrophobicContact CZ-SD 3.46Å; F252-M256 WeakPolarHBondContact CZ-SD 3.5Å; F252-M256 WeakPolarHBondContact O-CB 3.47Å; F252-M256 WeakPolarHBondContact O-CG 3.45Å; F252-M256 PolarHBondContact O-N 3Å; F252-W285 HydrophobicContact CD2-CB 3.77Å; F252-W285 AromaticContact CD2-CD2 3.84Å; F252-W285 HydrophobicContact CD2-CD2 3.84Å; F252-W285 HydrophobicContact CD2-CE3 4.28Å; F252-W285 AromaticContact CD2-CG 3.59Å; F252-W285 HydrophobicContact CD2-CG 3.59Å; F252-W285 HydrophobicContact CE2-CB 3.76Å; F252-W285 HydrophobicContact CE2-CG 4.09Å
253M96.5Very high91.4Very high92 Ų9263.3 Ų63.345%0.45331%0.313SS..Hα-helixtrans-68.3-35.1176.9-59.5-59.5-55.900111.7L249 N250 A251 M256 K257L249-M253 HydrophobicContact CB-CB 4.16Å; L249-M253 HydrophobicContact CD2-CB 4.45Å; L249-M253 HydrophobicContact CG-CB 4.09Å; N250-M253 HydrophobicContact CB-CG 4.32Å; N250-M253 WeakPolarHBondContact O-CA 3.28Å; N250-M253 WeakPolarHBondContact O-CB 3.43Å; N250-M253 PolarHBondContact O-N 3.09Å; A251-M253 VanDerWaalsContact C-N 3.3Å; A251-M253 PolarHBondContact O-N 3.08Å; M253-M256 HydrophobicContact CE-CE 3.58Å; M253-M256 HydrophobicContact CG-CE 4.41Å; M253-M256 HydrophobicContact SD-CE 3.13Å; M253-M256 WeakPolarHBondContact SD-CE 3.44Å; M253-K257 PolarHBondContact O-N 3.36Å
254L96Very high92.3Very high27 Ų2761.6 Ų61.614%0.14130%0.296CS..Hα-helixtrans-66.4-45.2173.2-67.1172.5000110.9L249 N250 A251 F252 K257 E258 Y296 M299 A300L249-L254 HydrophobicContact CB-CD2 3.85Å; L249-L254 HydrophobicContact CB-CG 4.07Å; L249-L254 HydrophobicContact CD2-CD2 3.94Å; N250-L254 PolarHBondContact O-N 3.26Å; A251-L254 WeakPolarHBondContact O-CB 3.29Å; A251-L254 PolarHBondContact O-N 2.89Å; A251-L254 VanDerWaalsContact O-N 3.16Å; F252-L254 VanDerWaalsContact C-N 3.34Å; L254-K257 WeakPolarHBondContact O-CB 3.3Å; L254-K257 PolarHBondContact O-N 2.9Å; L254-E258 PolarHBondContact O-N 3.34Å; L254-Y296 HydrophobicContact CB-CD1 4.08Å; L254-M299 HydrophobicContact CD1-CB 3.69Å; L254-A300 HydrophobicContact CD1-CB 4.01Å
255Y96.7Very high92.8Very high4 Ų461 Ų612%0.01631%0.307CS..Hα-helixtrans-59.9-46.2174.6174.3-105.1000112.3A251 F252 K257 E258 M259 L281 R284 W285 L288 Y296A251-Y255 PolarHBondContact O-N 3.46Å; F252-Y255 HydrophobicContact CD2-CD1 4.18Å; F252-Y255 HydrophobicContact CE2-CD1 4.25Å; F252-Y255 PolarHBondContact O-N 3.06Å; Y255-K257 VanDerWaalsContact C-N 3.27Å; Y255-K257 PolarHBondContact O-N 3.01Å; Y255-E258 PolarHBondContact O-N 3.29Å; Y255-M259 HydrophobicContact CD2-CG 3.82Å; Y255-M259 HydrophobicContact CE1-CB 4.46Å; Y255-M259 HydrophobicContact CE1-CG 4.17Å; Y255-M259 HydrophobicContact CE2-CB 4.43Å; Y255-M259 HydrophobicContact CE2-CG 3.35Å; Y255-M259 HydrophobicContact CE2-SD 4.27Å; Y255-M259 HydrophobicContact CG-CG 4.41Å; Y255-M259 PolarHBondContact O-N 3.27Å; Y255-L281 HydrophobicContact CE1-CD2 4.33Å; Y255-R284 WeakPolarHBondContact OH-CB 3.42Å; Y255-R284 VanDerWaalsContact OH-CD 3.24Å; Y255-R284 WeakPolarHBondContact OH-CD 3.39Å; Y255-R284 WeakPolarHBondContact OH-CG 3.33Å; Y255-W285 HydrophobicContact CD1-CB 4.17Å; Y255-W285 HydrophobicContact CD1-CD2 4.42Å; Y255-W285 AromaticContact CD1-CE3 3.65Å; Y255-W285 HydrophobicContact CD1-CE3 3.65Å; Y255-W285 HydrophobicContact CD1-CZ3 4.47Å; Y255-W285 HydrophobicContact CD2-CE3 4.08Å; Y255-W285 HydrophobicContact CD2-CZ3 4.33Å; Y255-W285 HydrophobicContact CE1-CB 3.99Å; Y255-W285 HydrophobicContact CE1-CE3 4.27Å; Y255-W285 AromaticContact CG-CE3 3.53Å; Y255-W285 HydrophobicContact CG-CE3 3.53Å; Y255-W285 AromaticContact CG-CZ3 3.92Å; Y255-W285 HydrophobicContact CG-CZ3 3.92Å; Y255-L288 HydrophobicContact CD2-CD2 4.46Å; Y255-L288 HydrophobicContact CE2-CD2 4.32Å; Y255-Y296 HydrophobicContact CD2-CD2 4.4Å; Y255-Y296 HydrophobicContact CD2-CE1 4.32Å; Y255-Y296 AromaticContact CD2-CE2 3.74Å; Y255-Y296 HydrophobicContact CD2-CE2 3.74Å; Y255-Y296 AromaticContact CD2-CZ 3.71Å
256M95.2Very high92.8Very high19 Ų1965 Ų659%0.09433%0.325CS..Hα-helixtrans-60.5-35.7175.2-77.2-162.8-68.600112.4F252 M253 E258 R260 L281F252-M256 HydrophobicContact CD1-CE 3.54Å; F252-M256 HydrophobicContact CD1-CG 4.31Å; F252-M256 HydrophobicContact CD1-SD 4.13Å; F252-M256 HydrophobicContact CD2-CG 4.29Å; F252-M256 HydrophobicContact CE1-CE 3.3Å; F252-M256 HydrophobicContact CE1-CG 3.86Å; F252-M256 HydrophobicContact CE1-SD 3.36Å; F252-M256 WeakPolarHBondContact CE1-SD 3.33Å; F252-M256 HydrophobicContact CE2-CG 3.83Å; F252-M256 HydrophobicContact CE2-SD 4.31Å; F252-M256 HydrophobicContact CG-CE 4.42Å; F252-M256 HydrophobicContact CZ-CE 4.03Å; F252-M256 HydrophobicContact CZ-CG 3.59Å; F252-M256 HydrophobicContact CZ-SD 3.46Å; F252-M256 WeakPolarHBondContact CZ-SD 3.5Å; F252-M256 WeakPolarHBondContact O-CB 3.47Å; F252-M256 WeakPolarHBondContact O-CG 3.45Å; F252-M256 PolarHBondContact O-N 3Å; M253-M256 HydrophobicContact CE-CE 3.58Å; M253-M256 HydrophobicContact CG-CE 4.41Å; M253-M256 HydrophobicContact SD-CE 3.13Å; M253-M256 WeakPolarHBondContact SD-CE 3.44Å; M256-E258 VanDerWaalsContact C-N 3.27Å; M256-E258 PolarHBondContact O-N 3.22Å; M256-R260 WeakPolarHBondContact O-CA 3.15Å; M256-R260 WeakPolarHBondContact O-CB 3.21Å; M256-R260 PolarHBondContact O-N 3.17Å; M256-L281 HydrophobicContact CB-CD1 4.37Å; M256-L281 HydrophobicContact CG-CB 4.31Å; M256-L281 HydrophobicContact CG-CD1 3.96Å; M256-L281 HydrophobicContact SD-CD1 4.45Å
257K94.8Very high92.3Very high154 Ų15460.8 Ų60.867%0.6731%0.312SS*.Hα-helixtrans-61.5-37.1178.3-173.1-176.7176.2-171.50112L249 M253 L254 Y255 P261L249-K257 HydrophobicContact CD2-CD 4.42Å; M253-K257 PolarHBondContact O-N 3.36Å; L254-K257 WeakPolarHBondContact O-CB 3.3Å; L254-K257 PolarHBondContact O-N 2.9Å; Y255-K257 VanDerWaalsContact C-N 3.27Å; Y255-K257 PolarHBondContact O-N 3.01Å; K257-P261 WeakPolarHBondContact O-CD 3.04Å
258E94.5Very high91.4Very high98 Ų9859.3 Ų59.346%0.45832%0.323SS..Hα-helixtrans-81.2-47179.9-167-179175.600112L254 Y255 M256 P261 Y296L254-E258 PolarHBondContact O-N 3.34Å; Y255-E258 PolarHBondContact O-N 3.29Å; M256-E258 VanDerWaalsContact C-N 3.27Å; M256-E258 PolarHBondContact O-N 3.22Å; E258-P261 WeakPolarHBondContact O-CD 3.42Å; E258-P261 WeakPolarHBondContact O-CG 3.43Å; E258-Y296 PolarHBondContact OE2-OH 2.91Å
259M93.4Very high90.1Very high19 Ų1959.6 Ų59.69%0.09432%0.323CS..Hα-helixtrans-86.3-25.7-171.8-66.8-67102.800114.4Y255 Q262 V263 L281Y255-M259 HydrophobicContact CD2-CG 3.82Å; Y255-M259 HydrophobicContact CE1-CB 4.46Å; Y255-M259 HydrophobicContact CE1-CG 4.17Å; Y255-M259 HydrophobicContact CE2-CB 4.43Å; Y255-M259 HydrophobicContact CE2-CG 3.35Å; Y255-M259 HydrophobicContact CE2-SD 4.27Å; Y255-M259 HydrophobicContact CG-CG 4.41Å; Y255-M259 PolarHBondContact O-N 3.27Å; M259-Q262 WeakPolarHBondContact O-CB 3.27Å; M259-Q262 PolarHBondContact O-N 3.42Å; M259-Q262 VanDerWaalsContact O-N 3.11Å; M259-Q262 PolarHBondContact SD-OE1 2.9Å; M259-Q262 VanDerWaalsContact SD-OE1 3.42Å; M259-V263 WeakPolarHBondContact O-CG2 3.46Å; M259-V263 PolarHBondContact O-N 3.42Å; M259-L281 HydrophobicContact CB-CD2 3.46Å; M259-L281 VanDerWaalsContact CB-CD2 3.46Å
260R92.8Very high88.8Confident54 Ų5465.5 Ų65.520%0.20435%0.346CS..Hα-helixtrans-54.9-50178.4175.4175.7-93.3-923.2113.2M256 Q262 V263 M264 S274 I277 N278 L281M256-R260 WeakPolarHBondContact O-CA 3.15Å; M256-R260 WeakPolarHBondContact O-CB 3.21Å; M256-R260 PolarHBondContact O-N 3.17Å; R260-Q262 VanDerWaalsContact C-N 3.26Å; R260-Q262 PolarHBondContact O-N 2.64Å; R260-V263 PolarHBondContact O-N 3.35Å; R260-M264 HydrophobicContact CG-CG 4.32Å; R260-M264 HydrophobicContact CG-SD 3.75Å; R260-M264 WeakPolarHBondContact O-CB 3.39Å; R260-M264 WeakPolarHBondContact O-CG 3.44Å; R260-M264 PolarHBondContact O-N 3.32Å; R260-S274 PolarHBondContact NH1-OG 3.4Å; R260-S274 PolarHBondContact NH2-O 3.2Å; R260-S274 PolarHBondContact NH2-OG 2.95Å; R260-I277 HydrophobicContact CG-CG2 4.32Å; R260-N278 PolarHBondContact NH2-ND2 2.97Å; R260-N278 PolarHBondContact NH2-OD1 2.98Å; R260-L281 HydrophobicContact CB-CD1 3.94Å
261P90.9Very high87.4Confident75 Ų7567.4 Ų67.449%0.48735%0.352SS..Hα-helixtrans-63.1-33.6176.624.7-34.3000112.5K257 E258 M264 A265K257-P261 WeakPolarHBondContact O-CD 3.04Å; E258-P261 WeakPolarHBondContact O-CD 3.42Å; E258-P261 WeakPolarHBondContact O-CG 3.43Å; P261-M264 PolarHBondContact O-N 2.93Å; P261-A265 WeakPolarHBondContact O-CB 3.46Å; P261-A265 PolarHBondContact O-N 2.91Å
262Q90.6Very high86.1Confident84 Ų8479 Ų7939%0.39340%0.395SS..Hα-helixtrans-65.9-48.1177-166.6176.4-7.600111.5M259 R260 M264 A265 E266M259-Q262 WeakPolarHBondContact O-CB 3.27Å; M259-Q262 PolarHBondContact O-N 3.42Å; M259-Q262 VanDerWaalsContact O-N 3.11Å; M259-Q262 PolarHBondContact SD-OE1 2.9Å; M259-Q262 VanDerWaalsContact SD-OE1 3.42Å; R260-Q262 VanDerWaalsContact C-N 3.26Å; R260-Q262 PolarHBondContact O-N 2.64Å; Q262-M264 VanDerWaalsContact C-N 3.34Å; Q262-M264 PolarHBondContact O-N 3.18Å; Q262-A265 PolarHBondContact O-N 2.85Å; Q262-E266 WeakPolarHBondContact O-CG 3.36Å; Q262-E266 PolarHBondContact O-N 3.19Å
263V88.2Confident85.3Confident2 Ų280.9 Ų80.91%0.01241%0.405CS..Hα-helixtrans-67.1-35.41761770000111.5M259 R260 A265 E266 V267 I277 I280 L281M259-V263 WeakPolarHBondContact O-CG2 3.46Å; M259-V263 PolarHBondContact O-N 3.42Å; R260-V263 PolarHBondContact O-N 3.35Å; V263-A265 VanDerWaalsContact C-N 3.29Å; V263-A265 PolarHBondContact O-N 3.11Å; V263-E266 PolarHBondContact O-N 3.49Å; V263-V267 HydrophobicContact CG1-CG2 3.97Å; V263-V267 WeakPolarHBondContact O-CG2 3.24Å; V263-V267 PolarHBondContact O-N 3.38Å; V263-I277 HydrophobicContact CB-CG2 4.33Å; V263-I277 HydrophobicContact CG1-CG1 4.39Å; V263-I277 HydrophobicContact CG1-CG2 4.02Å; V263-I280 HydrophobicContact CG1-CG2 4.2Å; V263-L281 HydrophobicContact CG2-CD2 3.83Å
264M87.9Confident84.9Confident53 Ų5378 Ų7826%0.26139%0.394SS..Hα-helixtrans-61.4-38.4173.9-76.9175.575.500111.9R260 P261 Q262 G268 I277R260-M264 HydrophobicContact CG-CG 4.32Å; R260-M264 HydrophobicContact CG-SD 3.75Å; R260-M264 WeakPolarHBondContact O-CB 3.39Å; R260-M264 WeakPolarHBondContact O-CG 3.44Å; R260-M264 PolarHBondContact O-N 3.32Å; P261-M264 PolarHBondContact O-N 2.93Å; Q262-M264 VanDerWaalsContact C-N 3.34Å; Q262-M264 PolarHBondContact O-N 3.18Å; M264-G268 PolarHBondContact O-N 3.42Å; M264-G268 VanDerWaalsContact O-N 3.14Å; M264-I277 HydrophobicContact CG-CD1 3.51Å
265A87.9Confident84.6Confident80 Ų8079.9 Ų79.966%0.66141%0.413SS*.Hα-helixtrans-73.4-42.7176.600000112.6P261 Q262 V263P261-A265 WeakPolarHBondContact O-CB 3.46Å; P261-A265 PolarHBondContact O-N 2.91Å; Q262-A265 PolarHBondContact O-N 2.85Å; V263-A265 VanDerWaalsContact C-N 3.29Å; V263-A265 PolarHBondContact O-N 3.11Å
266E84.2Confident84.2Confident116 Ų11682.7 Ų82.754%0.54243%0.427SS..Hα-helixtrans-63.5-44.7179.8-74.1169.8-170.300112.3Q262 V263 R284Q262-E266 WeakPolarHBondContact O-CG 3.36Å; Q262-E266 PolarHBondContact O-N 3.19Å; V263-E266 PolarHBondContact O-N 3.49Å; E266-R284 IonicContact OE2-NH1 3.76Å
267V79.7Confident84Confident65 Ų6581.9 Ų81.939%0.39442%0.423SS..Hα-helixtrans-86-19.6-176-161.80000111.2V263 L269 I280V263-V267 HydrophobicContact CG1-CG2 3.97Å; V263-V267 WeakPolarHBondContact O-CG2 3.24Å; V263-V267 PolarHBondContact O-N 3.38Å; V267-L269 HydrophobicContact CB-CD1 4.41Å; V267-L269 HydrophobicContact CB-CD2 4.34Å; V267-L269 HydrophobicContact CG1-CB 4.5Å; V267-L269 HydrophobicContact CG1-CD1 3.64Å; V267-L269 HydrophobicContact CG1-CD2 3.59Å; V267-L269 HydrophobicContact CG1-CG 4.08Å; V267-L269 WeakPolarHBondContact O-CD1 3.34Å; V267-L269 PolarHBondContact O-N 3.16Å; V267-I280 HydrophobicContact CG2-CD1 4.48Å
268G72Confident83.9Confident62 Ų6277.6 Ų77.664%0.63941%0.407SS*.THydrogen-bonded Turntrans68.320.6178.600000113.9M264M264-G268 PolarHBondContact O-N 3.42Å; M264-G268 VanDerWaalsContact O-N 3.14Å
269L66.2Low83.8Confident39 Ų3980.9 Ų80.920%0.20442%0.415CS..  trans-86124.2-170.5-10445000111.7V267 Q273V267-L269 HydrophobicContact CB-CD1 4.41Å; V267-L269 HydrophobicContact CB-CD2 4.34Å; V267-L269 HydrophobicContact CG1-CB 4.5Å; V267-L269 HydrophobicContact CG1-CD1 3.64Å; V267-L269 HydrophobicContact CG1-CD2 3.59Å; V267-L269 HydrophobicContact CG1-CG 4.08Å; V267-L269 WeakPolarHBondContact O-CD1 3.34Å; V267-L269 PolarHBondContact O-N 3.16Å; L269-Q273 HydrophobicContact CB-CB 4.16Å; L269-Q273 HydrophobicContact CD2-CB 3.73Å; L269-Q273 HydrophobicContact CD2-CG 4.22Å; L269-Q273 HydrophobicContact CG-CB 3.93Å; L269-Q273 VanDerWaalsContact CG-CD 3.44Å; L269-Q273 HydrophobicContact CG-CG 4.1Å
270K67.4Low83.8Confident183 Ų18382.2 Ų82.280%0.79642%0.422SS*.  trans-54142170.7-68.6172.5178.3166.50109.9R272 Q273K270-R272 PolarHBondContact O-N 3.03Å; K270-Q273 PolarHBondContact O-N 3.42Å
271E67.9Low83.9Confident131 Ų13179.7 Ų79.761%0.61241%0.413SS*.G310 helixtrans-32.8-33.8-179.8-173.461.8-151.600115.8Q273 S274E271-Q273 PolarHBondContact O-N 3.21Å; E271-Q273 VanDerWaalsContact O-N 3.09Å; E271-S274 WeakPolarHBondContact O-CB 3.41Å; E271-S274 PolarHBondContact O-N 2.85Å
272R68.3Low84.1Confident244 Ų24477 Ų7792%0.92140%0.399SS*.G310 helixtrans-58.7-20177.9-165179.9-85.5-170.8-7.3114.2K270K270-R272 PolarHBondContact O-N 3.03Å
273Q81.3Confident84.3Confident97 Ų9780.6 Ų80.645%0.45341%0.409SS..G310 helixtrans-9820.6179.3-57-165.527.400114.5L269 K270 E271 A275 E276 I277L269-Q273 HydrophobicContact CB-CB 4.16Å; L269-Q273 HydrophobicContact CD2-CB 3.73Å; L269-Q273 HydrophobicContact CD2-CG 4.22Å; L269-Q273 HydrophobicContact CG-CB 3.93Å; L269-Q273 VanDerWaalsContact CG-CD 3.44Å; L269-Q273 HydrophobicContact CG-CG 4.1Å; K270-Q273 PolarHBondContact O-N 3.42Å; E271-Q273 PolarHBondContact O-N 3.21Å; E271-Q273 VanDerWaalsContact O-N 3.09Å; Q273-A275 PolarHBondContact O-N 3.47Å; Q273-A275 VanDerWaalsContact O-N 3.08Å; Q273-E276 PolarHBondContact O-N 3.46Å; Q273-I277 PolarHBondContact O-N 3.38Å
274S86.4Confident84.6Confident32 Ų3285.1 Ų85.122%0.22443%0.426CS..Hα-helixtrans-50.2-33.8177-177.10000114.3R260 E271 I277 N278R260-S274 PolarHBondContact NH1-OG 3.4Å; R260-S274 PolarHBondContact NH2-O 3.2Å; R260-S274 PolarHBondContact NH2-OG 2.95Å; E271-S274 WeakPolarHBondContact O-CB 3.41Å; E271-S274 PolarHBondContact O-N 2.85Å; S274-I277 PolarHBondContact O-N 3.43Å; S274-N278 PolarHBondContact O-N 2.97Å; S274-N278 VanDerWaalsContact O-N 3.08Å
275A89.5Confident85Confident66 Ų6683.4 Ų83.455%0.54542%0.416SS..Hα-helixtrans-63.5-41.5176.400000112.6Q273 N278 R279Q273-A275 PolarHBondContact O-N 3.47Å; Q273-A275 VanDerWaalsContact O-N 3.08Å; A275-N278 PolarHBondContact O-N 2.99Å; A275-R279 PolarHBondContact O-N 3.14Å
276E89.7Confident85.4Confident64 Ų6486.6 Ų86.630%0.29942%0.417SS..Hα-helixtrans-69.3-37.5178-172.956-150.100111.3Q273 N278 R279 I280 R283Q273-E276 PolarHBondContact O-N 3.46Å; E276-N278 VanDerWaalsContact C-N 3.3Å; E276-N278 PolarHBondContact O-N 3.29Å; E276-R279 WeakPolarHBondContact O-CB 3.44Å; E276-R279 PolarHBondContact O-N 3.06Å; E276-R279 VanDerWaalsContact O-N 3.13Å; E276-R279 WeakPolarHBondContact OE2-CD 3.49Å; E276-R279 IonicContact OE2-NH1 3.23Å; E276-R279 PolarHBondContact OE2-NH1 2.84Å; E276-I280 HydrophobicContact CG-CD1 4.46Å; E276-I280 WeakPolarHBondContact O-CG1 3.32Å; E276-I280 PolarHBondContact O-N 3.38Å; E276-R283 IonicContact OE1-NH2 3.99Å
277I89.7Confident85.9Confident1 Ų188.4 Ų88.41%0.00543%0.428CS..Hα-helixtrans-60-41.5173.9-66.2158000110.8R260 V263 M264 Q273 S274 R279 I280 L281R260-I277 HydrophobicContact CG-CG2 4.32Å; V263-I277 HydrophobicContact CB-CG2 4.33Å; V263-I277 HydrophobicContact CG1-CG1 4.39Å; V263-I277 HydrophobicContact CG1-CG2 4.02Å; M264-I277 HydrophobicContact CG-CD1 3.51Å; Q273-I277 PolarHBondContact O-N 3.38Å; S274-I277 PolarHBondContact O-N 3.43Å; I277-R279 VanDerWaalsContact C-N 3.33Å; I277-R279 PolarHBondContact O-N 2.95Å; I277-I280 PolarHBondContact O-N 3.14Å; I277-L281 HydrophobicContact CG2-CD1 3.8Å; I277-L281 HydrophobicContact CG2-CG 4.26Å; I277-L281 WeakPolarHBondContact O-CB 3.37Å; I277-L281 VanDerWaalsContact O-CG 3.28Å; I277-L281 WeakPolarHBondContact O-CG 3.17Å; I277-L281 PolarHBondContact O-N 2.97Å
278N93.3Very high86.6Confident65 Ų6586.8 Ų86.835%0.34842%0.416SS..Hα-helixtrans-62.9-37.9175.9-77.7-21.8000112.7R260 S274 A275 E276 L281 G282R260-N278 PolarHBondContact NH2-ND2 2.97Å; R260-N278 PolarHBondContact NH2-OD1 2.98Å; S274-N278 PolarHBondContact O-N 2.97Å; S274-N278 VanDerWaalsContact O-N 3.08Å; A275-N278 PolarHBondContact O-N 2.99Å; E276-N278 VanDerWaalsContact C-N 3.3Å; E276-N278 PolarHBondContact O-N 3.29Å; N278-L281 PolarHBondContact O-N 2.98Å; N278-G282 PolarHBondContact O-N 3.35Å
279R93.7Very high87.7Confident167 Ų16788.7 Ų88.763%0.6341%0.412SS*.Hα-helixtrans-63.8-43.6175.1-68.2173.1177.5170.3-3.9111.5A275 E276 I277 G282 R283A275-R279 PolarHBondContact O-N 3.14Å; E276-R279 WeakPolarHBondContact O-CB 3.44Å; E276-R279 PolarHBondContact O-N 3.06Å; E276-R279 VanDerWaalsContact O-N 3.13Å; E276-R279 WeakPolarHBondContact OE2-CD 3.49Å; E276-R279 IonicContact OE2-NH1 3.23Å; E276-R279 PolarHBondContact OE2-NH1 2.84Å; I277-R279 VanDerWaalsContact C-N 3.33Å; I277-R279 PolarHBondContact O-N 2.95Å; R279-G282 PolarHBondContact O-N 2.97Å; R279-R283 PolarHBondContact O-N 3.23Å
280I92.2Very high89.1Confident47 Ų4795.1 Ų95.124%0.24144%0.438CS..Hα-helixtrans-63-45.8176.2-65.1169000110.7V263 V267 E276 I277 G282 R283 R284V263-I280 HydrophobicContact CG1-CG2 4.2Å; V267-I280 HydrophobicContact CG2-CD1 4.48Å; E276-I280 HydrophobicContact CG-CD1 4.46Å; E276-I280 WeakPolarHBondContact O-CG1 3.32Å; E276-I280 PolarHBondContact O-N 3.38Å; I277-I280 PolarHBondContact O-N 3.14Å; I280-G282 PolarHBondContact O-N 3.16Å; I280-R283 PolarHBondContact O-N 3.21Å; I280-R284 WeakPolarHBondContact O-CB 3.39Å; I280-R284 PolarHBondContact O-N 3.35Å
281L94.4Very high90.5Very high0 Ų093 Ų930%043%0.431CS..Hα-helixtrans-64.1-39.9179.7-71.6171.8000112.5Y255 M256 M259 R260 V263 I277 N278 R284 W285Y255-L281 HydrophobicContact CE1-CD2 4.33Å; M256-L281 HydrophobicContact CB-CD1 4.37Å; M256-L281 HydrophobicContact CG-CB 4.31Å; M256-L281 HydrophobicContact CG-CD1 3.96Å; M256-L281 HydrophobicContact SD-CD1 4.45Å; M259-L281 HydrophobicContact CB-CD2 3.46Å; M259-L281 VanDerWaalsContact CB-CD2 3.46Å; R260-L281 HydrophobicContact CB-CD1 3.94Å; V263-L281 HydrophobicContact CG2-CD2 3.83Å; I277-L281 HydrophobicContact CG2-CD1 3.8Å; I277-L281 HydrophobicContact CG2-CG 4.26Å; I277-L281 WeakPolarHBondContact O-CB 3.37Å; I277-L281 VanDerWaalsContact O-CG 3.28Å; I277-L281 WeakPolarHBondContact O-CG 3.17Å; I277-L281 PolarHBondContact O-N 2.97Å; N278-L281 PolarHBondContact O-N 2.98Å; L281-R284 PolarHBondContact O-N 3.35Å; L281-W285 WeakPolarHBondContact O-CB 3.46Å; L281-W285 PolarHBondContact O-N 3.47Å
282G94.8Very high91.8Very high19 Ų1991.2 Ų91.220%0.19642%0.423CS..Hα-helixtrans-59.9-45.1174.700000112.1N278 R279 I280 W285 H286N278-G282 PolarHBondContact O-N 3.35Å; R279-G282 PolarHBondContact O-N 2.97Å; I280-G282 PolarHBondContact O-N 3.16Å; G282-W285 PolarHBondContact O-N 3.22Å; G282-H286 PolarHBondContact O-CD2 3.06Å; G282-H286 PolarHBondContact O-N 3.29Å
283R95.6Very high93.1Very high159 Ų15981.4 Ų81.460%0.639%0.387SS*.Hα-helixtrans-62.8-45174.3-71.1-171-69.6-135.7-2.8112.3E276 R279 I280 W285 H286 M287E276-R283 IonicContact OE1-NH2 3.99Å; R279-R283 PolarHBondContact O-N 3.23Å; I280-R283 PolarHBondContact O-N 3.21Å; R283-W285 VanDerWaalsContact C-N 3.31Å; R283-W285 PolarHBondContact O-N 3.17Å; R283-H286 PolarHBondContact O-N 3.31Å; R283-M287 WeakPolarHBondContact O-CG 3.29Å; R283-M287 PolarHBondContact O-N 2.84Å
284R95Very high93.9Very high97 Ų9781.1 Ų81.137%0.36639%0.386SS..Hα-helixtrans-65.2-34.6-179.5-159.2178176.9157.3-1.4112.1Y255 E266 I280 L281 M287 L288Y255-R284 WeakPolarHBondContact OH-CB 3.42Å; Y255-R284 VanDerWaalsContact OH-CD 3.24Å; Y255-R284 WeakPolarHBondContact OH-CD 3.39Å; Y255-R284 WeakPolarHBondContact OH-CG 3.33Å; E266-R284 IonicContact OE2-NH1 3.76Å; I280-R284 WeakPolarHBondContact O-CB 3.39Å; I280-R284 PolarHBondContact O-N 3.35Å; L281-R284 PolarHBondContact O-N 3.35Å; R284-M287 PolarHBondContact O-N 3.37Å; R284-L288 PolarHBondContact O-N 3.3Å
285W96.2Very high94.4Very high18 Ų1885.1 Ų85.17%0.06840%0.4CS..Hα-helixtrans-61.3-45.5174.2173.5-102000112.2A251 F252 Y255 L281 G282 R283 M287 L288 Q293 Y296 Y297A251-W285 HydrophobicContact CB-CH2 3.91Å; A251-W285 HydrophobicContact CB-CZ2 4.24Å; F252-W285 HydrophobicContact CD2-CB 3.77Å; F252-W285 AromaticContact CD2-CD2 3.84Å; F252-W285 HydrophobicContact CD2-CD2 3.84Å; F252-W285 HydrophobicContact CD2-CE3 4.28Å; F252-W285 AromaticContact CD2-CG 3.59Å; F252-W285 HydrophobicContact CD2-CG 3.59Å; F252-W285 HydrophobicContact CE2-CB 3.76Å; F252-W285 HydrophobicContact CE2-CG 4.09Å; Y255-W285 HydrophobicContact CD1-CB 4.17Å; Y255-W285 HydrophobicContact CD1-CD2 4.42Å; Y255-W285 AromaticContact CD1-CE3 3.65Å; Y255-W285 HydrophobicContact CD1-CE3 3.65Å; Y255-W285 HydrophobicContact CD1-CZ3 4.47Å; Y255-W285 HydrophobicContact CD2-CE3 4.08Å; Y255-W285 HydrophobicContact CD2-CZ3 4.33Å; Y255-W285 HydrophobicContact CE1-CB 3.99Å; Y255-W285 HydrophobicContact CE1-CE3 4.27Å; Y255-W285 AromaticContact CG-CE3 3.53Å; Y255-W285 HydrophobicContact CG-CE3 3.53Å; Y255-W285 AromaticContact CG-CZ3 3.92Å; Y255-W285 HydrophobicContact CG-CZ3 3.92Å; L281-W285 WeakPolarHBondContact O-CB 3.46Å; L281-W285 PolarHBondContact O-N 3.47Å; G282-W285 PolarHBondContact O-N 3.22Å; R283-W285 VanDerWaalsContact C-N 3.31Å; R283-W285 PolarHBondContact O-N 3.17Å; W285-M287 PolarHBondContact O-N 2.87Å; W285-L288 HydrophobicContact CE3-CD2 4.27Å; W285-L288 HydrophobicContact CZ3-CD2 4.21Å; W285-L288 VanDerWaalsContact O-CB 3.27Å; W285-L288 WeakPolarHBondContact O-CB 3.37Å; W285-L288 PolarHBondContact O-N 3.43Å; W285-Q293 HydrophobicContact CH2-CB 4.27Å; W285-Q293 HydrophobicContact CH2-CG 4.23Å; W285-Q293 HydrophobicContact CZ2-CB 4.44Å; W285-Q293 HydrophobicContact CZ2-CG 4.23Å; W285-Q293 HydrophobicContact CZ3-CG 4.5Å; W285-Q293 PolarHBondContact O-NE2 3.08Å; W285-Y296 HydrophobicContact CH2-CD2 4.33Å; W285-Y296 HydrophobicContact CH2-CG 4.33Å; W285-Y296 AromaticContact CZ3-CD2 3.74Å; W285-Y296 HydrophobicContact CZ3-CD2 3.74Å; W285-Y296 AromaticContact CZ3-CG 3.96Å; W285-Y296 HydrophobicContact CZ3-CG 3.96Å; W285-Y297 HydrophobicContact CZ2-CE2 4.25Å
286H95Very high94.8Very high146 Ų14682.8 Ų82.868%0.67638%0.377SS*.Hα-helixtrans-70.3-19176.6-68-59.8000113.9G282 R283G282-H286 PolarHBondContact O-CD2 3.06Å; G282-H286 PolarHBondContact O-N 3.29Å; R283-H286 PolarHBondContact O-N 3.31Å
287M95.4Very high95.2Very high155 Ų15585 Ų8576%0.76438%0.383SS*.Hα-helixtrans-86.2-10.8175.2-64.1-101.467.900113.3R283 R284 W285R283-M287 WeakPolarHBondContact O-CG 3.29Å; R283-M287 PolarHBondContact O-N 2.84Å; R284-M287 PolarHBondContact O-N 3.37Å; W285-M287 PolarHBondContact O-N 2.87Å
288L94.2Very high95.5Very high30 Ų3088.2 Ų88.216%0.15740%0.4CS..SBendtrans-72.8143.3-178.2-16472.3000110.6Y255 R284 W285 E292 Q293 Y296Y255-L288 HydrophobicContact CD2-CD2 4.46Å; Y255-L288 HydrophobicContact CE2-CD2 4.32Å; R284-L288 PolarHBondContact O-N 3.3Å; W285-L288 HydrophobicContact CE3-CD2 4.27Å; W285-L288 HydrophobicContact CZ3-CD2 4.21Å; W285-L288 VanDerWaalsContact O-CB 3.27Å; W285-L288 WeakPolarHBondContact O-CB 3.37Å; W285-L288 PolarHBondContact O-N 3.43Å; L288-E292 HydrophobicContact CD1-CB 3.9Å; L288-E292 HydrophobicContact CD1-CG 4.36Å; L288-E292 WeakPolarHBondContact CD1-OE2 3.46Å; L288-E292 HydrophobicContact CD2-CB 3.72Å; L288-E292 HydrophobicContact CG-CB 3.52Å; L288-E292 HydrophobicContact CG-CG 4.44Å; L288-E292 WeakPolarHBondContact CG-OE2 3.38Å; L288-Q293 HydrophobicContact CB-CG 4.03Å; L288-Q293 HydrophobicContact CD2-CG 3.97Å; L288-Q293 HydrophobicContact CG-CG 4.28Å; L288-Q293 PolarHBondContact O-NE2 3.19Å; L288-Y296 HydrophobicContact CD2-CD2 4.11Å; L288-Y296 HydrophobicContact CD2-CE2 3.96Å
289N96.2Very high95.7Very high102 Ų10288.3 Ų88.355%0.54540%0.4SS..  trans-64.1155.3179.5-78.70000111.5E291 E292 Q293N289-E291 WeakPolarHBondContact CB-OE2 3.41Å; N289-E291 PolarHBondContact O-N 3.33Å; N289-E292 HydrophobicContact CB-CG 4.41Å; N289-E292 PolarHBondContact N-OE2 3.43Å; N289-E292 PolarHBondContact O-N 3.09Å; N289-E292 VanDerWaalsContact O-N 3.17Å; N289-Q293 WeakPolarHBondContact O-CG 3.46Å; N289-Q293 PolarHBondContact O-N 3.01Å
290K95.5Very high95.9Very high174 Ų17480.6 Ų80.676%0.75737%0.372SS*.Hα-helixtrans-60.4-36.5-178.8-74.5-177.4179.7179.70111.9E292 Q293 Q294K290-E292 VanDerWaalsContact C-N 3.35Å; K290-Q293 PolarHBondContact O-N 2.93Å; K290-Q294 VanDerWaalsContact O-CB 3.28Å; K290-Q294 WeakPolarHBondContact O-CB 3.41Å; K290-Q294 PolarHBondContact O-N 3.02Å
291E96.4Very high96.1Very high138 Ų13885.7 Ų85.765%0.64539%0.388SS*.Hα-helixtrans-64.8-40.7178.7-59.572.9-156.800111.3N289 Q294 K295N289-E291 WeakPolarHBondContact CB-OE2 3.41Å; N289-E291 PolarHBondContact O-N 3.33Å; E291-Q294 WeakPolarHBondContact O-CB 3.48Å; E291-Q294 PolarHBondContact O-N 3.11Å; E291-K295 PolarHBondContact O-N 2.79Å
292E95.5Very high96.2Very high95 Ų9592.4 Ų92.444%0.44442%0.417SS..Hα-helixtrans-72.5-41.4177-69.6178.4126.700111.4L288 N289 K290 Q294 K295 Y296L288-E292 HydrophobicContact CD1-CB 3.9Å; L288-E292 HydrophobicContact CD1-CG 4.36Å; L288-E292 WeakPolarHBondContact CD1-OE2 3.46Å; L288-E292 HydrophobicContact CD2-CB 3.72Å; L288-E292 HydrophobicContact CG-CB 3.52Å; L288-E292 HydrophobicContact CG-CG 4.44Å; L288-E292 WeakPolarHBondContact CG-OE2 3.38Å; N289-E292 HydrophobicContact CB-CG 4.41Å; N289-E292 PolarHBondContact N-OE2 3.43Å; N289-E292 PolarHBondContact O-N 3.09Å; N289-E292 VanDerWaalsContact O-N 3.17Å; K290-E292 VanDerWaalsContact C-N 3.35Å; E292-Q294 VanDerWaalsContact C-N 3.27Å; E292-Q294 PolarHBondContact O-N 3.14Å; E292-K295 WeakPolarHBondContact O-CB 3.5Å; E292-K295 PolarHBondContact O-N 2.8Å; E292-Y296 WeakPolarHBondContact O-CD2 3.2Å
293Q96Very high96.3Very high37 Ų3794.8 Ų94.817%0.17342%0.423CS..Hα-helixtrans-59-42.3171.5-69.9-176.537.100110.8W285 L288 N289 K290 K295 Y296 Y297W285-Q293 HydrophobicContact CH2-CB 4.27Å; W285-Q293 HydrophobicContact CH2-CG 4.23Å; W285-Q293 HydrophobicContact CZ2-CB 4.44Å; W285-Q293 HydrophobicContact CZ2-CG 4.23Å; W285-Q293 HydrophobicContact CZ3-CG 4.5Å; W285-Q293 PolarHBondContact O-NE2 3.08Å; L288-Q293 HydrophobicContact CB-CG 4.03Å; L288-Q293 HydrophobicContact CD2-CG 3.97Å; L288-Q293 HydrophobicContact CG-CG 4.28Å; L288-Q293 PolarHBondContact O-NE2 3.19Å; N289-Q293 WeakPolarHBondContact O-CG 3.46Å; N289-Q293 PolarHBondContact O-N 3.01Å; K290-Q293 PolarHBondContact O-N 2.93Å; Q293-K295 VanDerWaalsContact C-N 3.3Å; Q293-K295 PolarHBondContact O-N 3.43Å; Q293-Y296 PolarHBondContact O-N 3.4Å; Q293-Y297 HydrophobicContact CB-CD2 4.4Å; Q293-Y297 HydrophobicContact CB-CE2 4.18Å; Q293-Y297 WeakPolarHBondContact O-CD2 3.11Å; Q293-Y297 PolarHBondContact O-N 3.49Å
294Q96.9Very high96.2Very high91 Ų9194 Ų9443%0.42542%0.42SS..Hα-helixtrans-57.1-41.9178.8-172.461.635.200111.8K290 E291 E292 Y296 Y297 D298K290-Q294 VanDerWaalsContact O-CB 3.28Å; K290-Q294 WeakPolarHBondContact O-CB 3.41Å; K290-Q294 PolarHBondContact O-N 3.02Å; E291-Q294 WeakPolarHBondContact O-CB 3.48Å; E291-Q294 PolarHBondContact O-N 3.11Å; E292-Q294 VanDerWaalsContact C-N 3.27Å; E292-Q294 PolarHBondContact O-N 3.14Å; Q294-Y296 VanDerWaalsContact C-N 3.26Å; Q294-Y296 PolarHBondContact O-N 2.81Å; Q294-Y297 WeakPolarHBondContact O-CB 2.92Å; Q294-Y297 PolarHBondContact O-N 3.49Å; Q294-D298 PolarHBondContact NE2-OD1 3.02Å; Q294-D298 PolarHBondContact O-N 3.18Å
295K96.8Very high96.2Very high117 Ų11794 Ų9451%0.50942%0.424SS..Hα-helixtrans-53.1-43.8173.5-176.6-168.2174.4-172.20111.8E291 E292 Q293 M299E291-K295 PolarHBondContact O-N 2.79Å; E292-K295 WeakPolarHBondContact O-CB 3.5Å; E292-K295 PolarHBondContact O-N 2.8Å; Q293-K295 VanDerWaalsContact C-N 3.3Å; Q293-K295 PolarHBondContact O-N 3.43Å; K295-M299 HydrophobicContact CG-CE 4.18Å; K295-M299 WeakPolarHBondContact O-CG 3.32Å; K295-M299 PolarHBondContact O-N 2.66Å; K295-M299 VanDerWaalsContact O-N 3.08Å
296Y97.7Very high96.2Very high17 Ų1795.8 Ų95.87%0.06744%0.435CS..Hα-helixtrans-73.3-32.3178.3-68.5-76.5000112.9L254 Y255 E258 W285 L288 E292 Q293 Q294 M299 A300L254-Y296 HydrophobicContact CB-CD1 4.08Å; Y255-Y296 HydrophobicContact CD2-CD2 4.4Å; Y255-Y296 HydrophobicContact CD2-CE1 4.32Å; Y255-Y296 AromaticContact CD2-CE2 3.74Å; Y255-Y296 HydrophobicContact CD2-CE2 3.74Å; Y255-Y296 AromaticContact CD2-CZ 3.71Å; E258-Y296 PolarHBondContact OE2-OH 2.91Å; W285-Y296 HydrophobicContact CH2-CD2 4.33Å; W285-Y296 HydrophobicContact CH2-CG 4.33Å; W285-Y296 AromaticContact CZ3-CD2 3.74Å; W285-Y296 HydrophobicContact CZ3-CD2 3.74Å; W285-Y296 AromaticContact CZ3-CG 3.96Å; W285-Y296 HydrophobicContact CZ3-CG 3.96Å; L288-Y296 HydrophobicContact CD2-CD2 4.11Å; L288-Y296 HydrophobicContact CD2-CE2 3.96Å; E292-Y296 WeakPolarHBondContact O-CD2 3.2Å; Q293-Y296 PolarHBondContact O-N 3.4Å; Q294-Y296 VanDerWaalsContact C-N 3.26Å; Q294-Y296 PolarHBondContact O-N 2.81Å; Y296-M299 HydrophobicContact CD1-CE 3.23Å; Y296-M299 HydrophobicContact CE1-CE 3.56Å; Y296-M299 HydrophobicContact CG-CE 3.9Å; Y296-A300 VanDerWaalsContact O-CB 3.3Å; Y296-A300 WeakPolarHBondContact O-CB 3.28Å; Y296-A300 PolarHBondContact O-N 3.41Å
297Y97.8Very high96.2Very high111 Ų11189.6 Ų89.644%0.43541%0.406SS..Hα-helixtrans-63.9-43.4171.5-77.7-72.4000112A251 W285 Q293 Q294 A300 R301A251-Y297 HydrophobicContact CB-CD1 3.99Å; A251-Y297 HydrophobicContact CB-CE1 4.21Å; A251-Y297 HydrophobicContact CB-CG 4.24Å; W285-Y297 HydrophobicContact CZ2-CE2 4.25Å; Q293-Y297 HydrophobicContact CB-CD2 4.4Å; Q293-Y297 HydrophobicContact CB-CE2 4.18Å; Q293-Y297 WeakPolarHBondContact O-CD2 3.11Å; Q293-Y297 PolarHBondContact O-N 3.49Å; Q294-Y297 WeakPolarHBondContact O-CB 2.92Å; Q294-Y297 PolarHBondContact O-N 3.49Å; Y297-A300 PolarHBondContact O-N 2.9Å; Y297-R301 PolarHBondContact O-N 3.44Å
298D97.7Very high96Very high68 Ų6887.6 Ų87.636%0.36440%0.396SS..Hα-helixtrans-64.7-41.8177.5-64.4-19.7000111.1Q294 R301 K302Q294-D298 PolarHBondContact NE2-OD1 3.02Å; Q294-D298 PolarHBondContact O-N 3.18Å; D298-R301 PolarHBondContact O-N 3.3Å; D298-K302 WeakPolarHBondContact O-CG 3.34Å; D298-K302 PolarHBondContact O-N 3.2Å; D298-K302 VanDerWaalsContact O-N 3.09Å
299M96.3Very high96Very high67 Ų6793.4 Ų93.433%0.3342%0.423SS..Hα-helixtrans-64.4-39.8173.6-70.5-172.3-62.800112.5L254 K295 Y296 R301 K302 E303L254-M299 HydrophobicContact CD1-CB 3.69Å; K295-M299 HydrophobicContact CG-CE 4.18Å; K295-M299 WeakPolarHBondContact O-CG 3.32Å; K295-M299 PolarHBondContact O-N 2.66Å; K295-M299 VanDerWaalsContact O-N 3.08Å; Y296-M299 HydrophobicContact CD1-CE 3.23Å; Y296-M299 HydrophobicContact CE1-CE 3.56Å; Y296-M299 HydrophobicContact CG-CE 3.9Å; M299-R301 VanDerWaalsContact C-N 3.31Å; M299-R301 PolarHBondContact O-N 3.31Å; M299-K302 PolarHBondContact O-N 3.13Å; M299-E303 WeakPolarHBondContact O-CB 3.46Å; M299-E303 PolarHBondContact O-N 3.38Å
300A97.5Very high95.9Very high5 Ų596.5 Ų96.54%0.04143%0.427CS..Hα-helixtrans-66.6-33.1177.300000112.5A251 L254 Y296 Y297 R304A251-A300 HydrophobicContact CB-CB 4.08Å; A251-A300 VanDerWaalsContact N-CB 3.33Å; L254-A300 HydrophobicContact CD1-CB 4.01Å; Y296-A300 VanDerWaalsContact O-CB 3.3Å; Y296-A300 WeakPolarHBondContact O-CB 3.28Å; Y296-A300 PolarHBondContact O-N 3.41Å; Y297-A300 PolarHBondContact O-N 2.9Å; A300-R304 WeakPolarHBondContact O-CB 3.23Å; A300-R304 PolarHBondContact O-N 3.02Å
301R97.2Very high95.6Very high153 Ų15393.1 Ų93.158%0.57741%0.41SS*.Hα-helixtrans-64-49.7172-169.7-173.3-63.8-170.60.5110.7Y297 D298 M299 E303 R304 E305Y297-R301 PolarHBondContact O-N 3.44Å; D298-R301 PolarHBondContact O-N 3.3Å; M299-R301 VanDerWaalsContact C-N 3.31Å; M299-R301 PolarHBondContact O-N 3.31Å; R301-E303 VanDerWaalsContact C-N 3.34Å; R301-E303 PolarHBondContact O-N 3.27Å; R301-R304 WeakPolarHBondContact O-CB 3.47Å; R301-R304 PolarHBondContact O-N 2.97Å; R301-R304 VanDerWaalsContact O-N 3.14Å; R301-E305 WeakPolarHBondContact CG-OE1 3.46Å; R301-E305 WeakPolarHBondContact O-CG 3.36Å; R301-E305 PolarHBondContact O-N 2.82Å
302K97.1Very high95.2Very high142 Ų14292 Ų9262%0.61741%0.414SS*.Hα-helixtrans-58.4-42.7175.7-70.1176.8-177.81770112.5D298 M299 R304 E305 L306D298-K302 WeakPolarHBondContact O-CG 3.34Å; D298-K302 PolarHBondContact O-N 3.2Å; D298-K302 VanDerWaalsContact O-N 3.09Å; M299-K302 PolarHBondContact O-N 3.13Å; K302-R304 VanDerWaalsContact C-N 3.31Å; K302-R304 PolarHBondContact O-N 3.3Å; K302-E305 PolarHBondContact O-N 3.08Å; K302-L306 WeakPolarHBondContact O-CB 3.43Å; K302-L306 PolarHBondContact O-N 2.97Å
303E95.3Very high94.6Very high69 Ų6991.1 Ų91.132%0.32243%0.431SS..Hα-helixtrans-64.8-36.5177.9-17265.6-161.200111.8P248 L249 M299 R301 H307P248-E303 HydrophobicContact CB-CG 4.44Å; L249-E303 HydrophobicContact CB-CG 4.38Å; M299-E303 WeakPolarHBondContact O-CB 3.46Å; M299-E303 PolarHBondContact O-N 3.38Å; R301-E303 VanDerWaalsContact C-N 3.34Å; R301-E303 PolarHBondContact O-N 3.27Å; E303-H307 VanDerWaalsContact O-CB 3.29Å; E303-H307 WeakPolarHBondContact O-CB 3.48Å; E303-H307 PolarHBondContact O-N 2.92Å
304R94.9Very high94.3Very high141 Ų14192.2 Ų92.253%0.53243%0.434SS..Hα-helixtrans-65.7-45.5174.2-172.6-173.1-60.41670.7111.6P248 A300 R301 K302 H307 M308P248-R304 HydrophobicContact CB-CB 4.38Å; P248-R304 HydrophobicContact CG-CG 4.32Å; A300-R304 WeakPolarHBondContact O-CB 3.23Å; A300-R304 PolarHBondContact O-N 3.02Å; R301-R304 WeakPolarHBondContact O-CB 3.47Å; R301-R304 PolarHBondContact O-N 2.97Å; R301-R304 VanDerWaalsContact O-N 3.14Å; K302-R304 VanDerWaalsContact C-N 3.31Å; K302-R304 PolarHBondContact O-N 3.3Å; R304-H307 PolarHBondContact O-N 3.2Å; R304-M308 WeakPolarHBondContact O-CG 2.98Å; R304-M308 PolarHBondContact O-N 3.09Å
305E95.6Very high93.8Very high99 Ų9990.3 Ų90.346%0.46343%0.431SS..Hα-helixtrans-60.3-49.1176.2-71.2164.1-170.500111.2R301 K302 H307 M308 E309R301-E305 WeakPolarHBondContact CG-OE1 3.46Å; R301-E305 WeakPolarHBondContact O-CG 3.36Å; R301-E305 PolarHBondContact O-N 2.82Å; K302-E305 PolarHBondContact O-N 3.08Å; E305-H307 VanDerWaalsContact C-N 3.26Å; E305-H307 PolarHBondContact O-N 3.5Å; E305-M308 HydrophobicContact CG-CE 4.25Å; E305-M308 WeakPolarHBondContact O-CB 3.13Å; E305-M308 PolarHBondContact O-N 3.41Å; E305-E309 PolarHBondContact O-N 3.27Å
306L95.3Very high93.2Very high55 Ų5586.2 Ų86.229%0.28842%0.418SS..Hα-helixtrans-58.4-38.6176.3-17472.8000112K302 E309 R310K302-L306 WeakPolarHBondContact O-CB 3.43Å; K302-L306 PolarHBondContact O-N 2.97Å; L306-E309 PolarHBondContact O-N 3.08Å; L306-R310 WeakPolarHBondContact O-CB 3.47Å; L306-R310 VanDerWaalsContact O-CG 3.29Å; L306-R310 WeakPolarHBondContact O-CG 3.5Å; L306-R310 PolarHBondContact O-N 2.95Å
307H94.5Very high92.6Very high16 Ų1695 Ų957%0.07445%0.452CS..Hα-helixtrans-67.6-39.8176.3-176.1-69.2000112I245 K246 P248 E303 R304 E305 E309 Y311 W314I245-H307 WeakPolarHBondContact CG2-NE2 3.46Å; K246-H307 PolarHBondContact O-NE2 2.74Å; K246-H307 VanDerWaalsContact O-NE2 3.11Å; P248-H307 HydrophobicContact CB-CB 3.87Å; P248-H307 HydrophobicContact CG-CB 4.33Å; E303-H307 VanDerWaalsContact O-CB 3.29Å; E303-H307 WeakPolarHBondContact O-CB 3.48Å; E303-H307 PolarHBondContact O-N 2.92Å; R304-H307 PolarHBondContact O-N 3.2Å; E305-H307 VanDerWaalsContact C-N 3.26Å; E305-H307 PolarHBondContact O-N 3.5Å; H307-E309 VanDerWaalsContact C-N 3.34Å; H307-Y311 AromaticContact CD2-CD2 3.98Å; H307-Y311 AromaticContact CE1-CD2 3.77Å; H307-Y311 AromaticContact NE2-CD2 3.67Å; H307-Y311 PolarHBondContact O-N 3.36Å; H307-W314 AromaticContact CE1-CD1 3.91Å; H307-W314 AromaticContact CE1-CD2 3.32Å; H307-W314 AromaticContact CE1-CE2 3.74Å; H307-W314 AromaticContact CE1-CE3 3.57Å; H307-W314 AromaticContact CE1-CG 3.46Å; H307-W314 VanDerWaalsContact CE1-CG 3.46Å
308M92.6Very high91.9Very high113 Ų11394.3 Ų94.356%0.55746%0.455SS*.Hα-helixtrans-65-38.9175-69.8-172.4-60.700111.5R304 E305 Y311R304-M308 WeakPolarHBondContact O-CG 2.98Å; R304-M308 PolarHBondContact O-N 3.09Å; E305-M308 HydrophobicContact CG-CE 4.25Å; E305-M308 WeakPolarHBondContact O-CB 3.13Å; E305-M308 PolarHBondContact O-N 3.41Å; M308-Y311 CarbonylContact O-C 3.18Å
309E93.7Very high91.2Very high152 Ų15292 Ų9271%0.7144%0.443SS*.Hα-helixtrans-66.8-44.4176.8-175178.4-152.600112.1E305 L306 H307E305-E309 PolarHBondContact O-N 3.27Å; L306-E309 PolarHBondContact O-N 3.08Å; H307-E309 VanDerWaalsContact C-N 3.34Å
310R93.5Very high90.2Very high167 Ų16795 Ų9563%0.6345%0.452SS*.Hα-helixtrans-72.2-29.8179.2-70.6178.2-175.6-155.81.6113.3L306L306-R310 WeakPolarHBondContact O-CB 3.47Å; L306-R310 VanDerWaalsContact O-CG 3.29Å; L306-R310 WeakPolarHBondContact O-CG 3.5Å; L306-R310 PolarHBondContact O-N 2.95Å
311Y90.3Very high89.2Confident102 Ų10297.3 Ų97.340%0.447%0.47SS..SBendtrans-131.770.9-177.3-53.1-70.4000111.4I245 H307 M308 G313 W314I245-Y311 HydrophobicContact CD1-CD1 3.47Å; I245-Y311 VanDerWaalsContact CD1-CD1 3.47Å; I245-Y311 HydrophobicContact CD1-CE1 3.69Å; I245-Y311 HydrophobicContact CD1-CG 3.96Å; I245-Y311 HydrophobicContact CG1-CD1 4.1Å; I245-Y311 HydrophobicContact CG1-CE1 3.86Å; I245-Y311 HydrophobicContact CG2-CD1 4.44Å; I245-Y311 HydrophobicContact CG2-CD2 3.65Å; I245-Y311 HydrophobicContact CG2-CE1 4.39Å; I245-Y311 HydrophobicContact CG2-CE2 3.6Å; I245-Y311 HydrophobicContact CG2-CG 4.07Å; H307-Y311 AromaticContact CD2-CD2 3.98Å; H307-Y311 AromaticContact CE1-CD2 3.77Å; H307-Y311 AromaticContact NE2-CD2 3.67Å; H307-Y311 PolarHBondContact O-N 3.36Å; M308-Y311 CarbonylContact O-C 3.18Å; Y311-G313 PolarHBondContact O-N 3.35Å; Y311-G313 VanDerWaalsContact O-N 3.09Å; Y311-W314 WeakPolarHBondContact O-CB 2.91Å; Y311-W314 PolarHBondContact O-N 3.21Å
312P86.7Confident87.9Confident114 Ų11493.5 Ų93.574%0.7446%0.46SS*.THydrogen-bonded Turntrans-67.4109.6175.829.1-33.7000108.5
313G83.3Confident86.6Confident78 Ų7890.5 Ų90.580%0.80445%0.449SS*.THydrogen-bonded Turntrans106.33.3-173.700000114.7Y311 S315Y311-G313 PolarHBondContact O-N 3.35Å; Y311-G313 VanDerWaalsContact O-N 3.09Å; G313-S315 PolarHBondContact O-N 3.5Å
314W89.7Confident85.4Confident60 Ų6094.5 Ų94.523%0.22747%0.465CS..  trans-68.9124.2165.6-177.997.1000110.5I245 K247 H307 Y311 A316 N319I245-W314 HydrophobicContact CG2-CG 4.42Å; I245-W314 PolarHBondContact O-NE1 3.41Å; K247-W314 HydrophobicContact CB-CH2 4.14Å; K247-W314 HydrophobicContact CB-CZ2 4.34Å; K247-W314 HydrophobicContact CG-CH2 3.85Å; K247-W314 HydrophobicContact CG-CZ2 3.89Å; H307-W314 AromaticContact CE1-CD1 3.91Å; H307-W314 AromaticContact CE1-CD2 3.32Å; H307-W314 AromaticContact CE1-CE2 3.74Å; H307-W314 AromaticContact CE1-CE3 3.57Å; H307-W314 AromaticContact CE1-CG 3.46Å; H307-W314 VanDerWaalsContact CE1-CG 3.46Å; Y311-W314 WeakPolarHBondContact O-CB 2.91Å; Y311-W314 PolarHBondContact O-N 3.21Å; W314-A316 HydrophobicContact CH2-CB 3.73Å; W314-A316 HydrophobicContact CZ2-CB 4.4Å; W314-A316 HydrophobicContact CZ3-CB 4.01Å; W314-N319 HydrophobicContact CZ2-CB 4.49Å; W314-N319 PolarHBondContact NE1-ND2 3.36Å
315S87.4Confident84.2Confident51 Ų5195.7 Ų95.736%0.35747%0.474SS..  trans-117.6133.2169.2175.70000109.6G313 R317 D318 N319G313-S315 PolarHBondContact O-N 3.5Å; S315-R317 PolarHBondContact O-N 3.31Å; S315-R317 PolarHBondContact OG-N 3.06Å; S315-D318 PolarHBondContact O-N 3.37Å; S315-N319 PolarHBondContact O-N 2.95Å
316A84.3Confident83Confident30 Ų3095.5 Ų95.525%0.24847%0.472CS..Hα-helixtrans-56.1-39.817700000111.5W314 N319 Y320W314-A316 HydrophobicContact CH2-CB 3.73Å; W314-A316 HydrophobicContact CZ2-CB 4.4Å; W314-A316 HydrophobicContact CZ3-CB 4.01Å; A316-N319 PolarHBondContact O-N 2.87Å; A316-Y320 HydrophobicContact CB-CE2 4.4Å; A316-Y320 WeakPolarHBondContact O-CD2 3.28Å; A316-Y320 PolarHBondContact O-N 2.76Å
317R83.9Confident81.6Confident203 Ų20399.5 Ų99.577%0.76649%0.487SS*.Hα-helixtrans-61.3-49.8-177.8-177.9179.3-72.5170.8-2.4111.9S315 N319 Y320 A321S315-R317 PolarHBondContact O-N 3.31Å; S315-R317 PolarHBondContact OG-N 3.06Å; R317-N319 VanDerWaalsContact C-N 3.27Å; R317-N319 PolarHBondContact O-N 2.8Å; R317-Y320 PolarHBondContact O-N 3.41Å; R317-A321 WeakPolarHBondContact O-CB 3.36Å; R317-A321 PolarHBondContact O-N 3.25Å
318D82.7Confident80.1Confident95 Ų95107.5 Ų107.551%0.50852%0.516SS..Hα-helixtrans-63.8-39.9-179.1-64-32000110.8S315 Y320 A321 I322S315-D318 PolarHBondContact O-N 3.37Å; D318-Y320 PolarHBondContact O-N 2.93Å; D318-A321 PolarHBondContact O-N 3.27Å; D318-I322 WeakPolarHBondContact O-CD1 3.44Å; D318-I322 WeakPolarHBondContact O-CG1 3.41Å; D318-I322 PolarHBondContact O-N 2.82Å; D318-I322 VanDerWaalsContact O-N 3.09Å
319N82.8Confident78.8Confident19 Ų19109.8 Ų109.810%0.10252%0.523CS..Hα-helixtrans-62.6-41.6178.8-161.4-69.1000112.4H244 I245 W314 S315 A316 R317 H323H244-N319 PolarHBondContact CE1-OD1 2.76Å; H244-N319 PolarHBondContact ND1-OD1 3.04Å; I245-N319 PolarHBondContact N-ND2 2.89Å; I245-N319 PolarHBondContact O-ND2 3.44Å; W314-N319 HydrophobicContact CZ2-CB 4.49Å; W314-N319 PolarHBondContact NE1-ND2 3.36Å; S315-N319 PolarHBondContact O-N 2.95Å; A316-N319 PolarHBondContact O-N 2.87Å; R317-N319 VanDerWaalsContact C-N 3.27Å; R317-N319 PolarHBondContact O-N 2.8Å; N319-H323 PolarHBondContact O-CD2 3.08Å; N319-H323 VanDerWaalsContact O-CD2 3.31Å
320Y76.5Confident77.5Confident132 Ų132111.9 Ų111.952%0.51852%0.524SS..Hα-helixtrans-70.1-42.7173.7-74.2-67.4000113.5K247 A316 R317 D318 I322 H323 K324K247-Y320 HydrophobicContact CD-CE2 4.32Å; K247-Y320 VanDerWaalsContact CD-OH 3.28Å; K247-Y320 WeakPolarHBondContact CD-OH 3.18Å; K247-Y320 WeakPolarHBondContact CE-OH 3.34Å; K247-Y320 VanDerWaalsContact NZ-CZ 3.35Å; K247-Y320 PolarHBondContact NZ-OH 3.23Å; A316-Y320 HydrophobicContact CB-CE2 4.4Å; A316-Y320 WeakPolarHBondContact O-CD2 3.28Å; A316-Y320 PolarHBondContact O-N 2.76Å; R317-Y320 PolarHBondContact O-N 3.41Å; D318-Y320 PolarHBondContact O-N 2.93Å; Y320-I322 VanDerWaalsContact C-N 3.28Å; Y320-I322 PolarHBondContact O-N 3.33Å; Y320-H323 PolarHBondContact O-N 3.09Å; Y320-H323 VanDerWaalsContact O-N 3.09Å; Y320-K324 PolarHBondContact O-N 3.23Å
321A75.2Confident76Confident53 Ų53107 Ų10744%0.43851%0.511SS..Hα-helixtrans-62.2-37.1-176.200000112R317 D318 H323 K324 K325R317-A321 WeakPolarHBondContact O-CB 3.36Å; R317-A321 PolarHBondContact O-N 3.25Å; D318-A321 PolarHBondContact O-N 3.27Å; A321-H323 VanDerWaalsContact C-N 3.28Å; A321-H323 PolarHBondContact O-N 3.45Å; A321-K324 PolarHBondContact O-N 3.34Å; A321-K325 WeakPolarHBondContact O-CB 3.48Å; A321-K325 PolarHBondContact O-N 3.01Å
322I71.8Confident74.8Confident72 Ų72107.8 Ų107.837%0.36952%0.516SS..Hα-helixtrans-57.9-43.1175-68.5162.4000110.6I242 D318 Y320 K326I242-I322 HydrophobicContact CD1-CD1 4.36Å; D318-I322 WeakPolarHBondContact O-CD1 3.44Å; D318-I322 WeakPolarHBondContact O-CG1 3.41Å; D318-I322 PolarHBondContact O-N 2.82Å; D318-I322 VanDerWaalsContact O-N 3.09Å; Y320-I322 VanDerWaalsContact C-N 3.28Å; Y320-I322 PolarHBondContact O-N 3.33Å; I322-K326 VanDerWaalsContact O-CB 3.25Å; I322-K326 WeakPolarHBondContact O-CB 3.39Å; I322-K326 PolarHBondContact O-N 2.95Å; I322-K326 VanDerWaalsContact O-N 3.08Å
323H67.9Low73.6Confident80 Ų80107.2 Ų107.237%0.3751%0.511SS..Hα-helixtrans-73.1-42.5-179.4-78.2-102.2000112.5H244 N319 Y320 A321 K325 K326 K327H244-H323 WeakPolarHBondContact CB-NE2 3.48Å; H244-H323 AromaticContact CE1-NE2 3.93Å; H244-H323 AromaticContact CG-CE1 3.65Å; H244-H323 AromaticContact CG-NE2 3.31Å; H244-H323 VanDerWaalsContact CG-NE2 3.31Å; H244-H323 AromaticContact ND1-CD2 3.41Å; H244-H323 PolarHBondContact ND1-CD2 3.09Å; H244-H323 AromaticContact ND1-CE1 3.54Å; H244-H323 AromaticContact ND1-NE2 2.95Å; H244-H323 PolarHBondContact ND1-NE2 2.91Å; N319-H323 PolarHBondContact O-CD2 3.08Å; N319-H323 VanDerWaalsContact O-CD2 3.31Å; Y320-H323 PolarHBondContact O-N 3.09Å; Y320-H323 VanDerWaalsContact O-N 3.09Å; A321-H323 VanDerWaalsContact C-N 3.28Å; A321-H323 PolarHBondContact O-N 3.45Å; H323-K325 PolarHBondContact O-N 2.83Å; H323-K326 PolarHBondContact O-N 3.31Å; H323-K327 WeakPolarHBondContact O-CB 3.25Å; H323-K327 PolarHBondContact O-N 3.38Å
324K70.8Confident72.6Confident152 Ų152107.6 Ų107.666%0.66150%0.501SS*.Hα-helixtrans-61.9-43.9176.6-169.9170.6-175.7171.60111.4Y320 A321 K326 K327 R328Y320-K324 PolarHBondContact O-N 3.23Å; A321-K324 PolarHBondContact O-N 3.34Å; K324-K326 VanDerWaalsContact C-N 3.33Å; K324-K326 PolarHBondContact O-N 3.1Å; K324-K327 PolarHBondContact O-N 3.12Å; K324-R328 WeakPolarHBondContact O-CG 3.34Å; K324-R328 PolarHBondContact O-N 2.95Å
325K69.6Low71.2Confident166 Ų166109.3 Ų109.372%0.72251%0.512SS*.Hα-helixtrans-65.1-37.3177.2-169.1174.3-177.61770111.9A321 H323 K329A321-K325 WeakPolarHBondContact O-CB 3.48Å; A321-K325 PolarHBondContact O-N 3.01Å; H323-K325 PolarHBondContact O-N 2.83Å; K325-K329 WeakPolarHBondContact O-CB 3.23Å; K325-K329 PolarHBondContact O-N 3.24Å
326K70.1Confident70Confident96 Ų96111.3 Ų111.342%0.41752%0.518SS..Hα-helixtrans-71.9-39.5177.1-173176.9176.7-178.10113I322 H323 K324 K329 R330I322-K326 VanDerWaalsContact O-CB 3.25Å; I322-K326 WeakPolarHBondContact O-CB 3.39Å; I322-K326 PolarHBondContact O-N 2.95Å; I322-K326 VanDerWaalsContact O-N 3.08Å; H323-K326 PolarHBondContact O-N 3.31Å; K324-K326 VanDerWaalsContact C-N 3.33Å; K324-K326 PolarHBondContact O-N 3.1Å; K326-K329 PolarHBondContact O-N 3.47Å; K326-R330 PolarHBondContact O-N 2.99Å
327K67Low68.9Low138 Ų138112.9 Ų112.960%0.653%0.531SS*.Hα-helixtrans-59-53.8172-176.4170.5179.7-1770109.2H323 K324 K329 R330 D331H323-K327 WeakPolarHBondContact O-CB 3.25Å; H323-K327 PolarHBondContact O-N 3.38Å; K324-K327 PolarHBondContact O-N 3.12Å; K327-K329 VanDerWaalsContact C-N 3.31Å; K327-K329 PolarHBondContact O-N 3.4Å; K327-K329 VanDerWaalsContact O-N 3.16Å; K327-R330 WeakPolarHBondContact O-CB 3.49Å; K327-R330 PolarHBondContact O-N 3.43Å; K327-D331 VanDerWaalsContact CG-OD2 3.23Å; K327-D331 WeakPolarHBondContact CG-OD2 3.34Å; K327-D331 VanDerWaalsContact O-CG 3.24Å; K327-D331 PolarHBondContact O-N 3.19Å; K327-D331 VanDerWaalsContact O-OD2 3.07Å
328R63Low67.9Low185 Ų185106.5 Ų106.570%0.69851%0.51SS*.Hα-helixtrans-54.4-39.1174.6-68.4-179.9104.8178.57.4113.8K324 K332K324-R328 WeakPolarHBondContact O-CG 3.34Å; K324-R328 PolarHBondContact O-N 2.95Å; R328-K332 WeakPolarHBondContact O-CB 3.31Å; R328-K332 PolarHBondContact O-N 3.01Å
329K65.2Low67Low160 Ų160103.3 Ų103.370%0.69649%0.493SS*.Hα-helixtrans-71.2-37.7177.3-172.5175.8-179.7177.90112.6K325 K326 K327 T333K325-K329 WeakPolarHBondContact O-CB 3.23Å; K325-K329 PolarHBondContact O-N 3.24Å; K326-K329 PolarHBondContact O-N 3.47Å; K327-K329 VanDerWaalsContact C-N 3.31Å; K327-K329 PolarHBondContact O-N 3.4Å; K327-K329 VanDerWaalsContact O-N 3.16Å; K329-T333 PolarHBondContact O-N 2.86Å; K329-T333 VanDerWaalsContact O-N 3.15Å; K329-T333 PolarHBondContact O-OG1 2.96Å
330R66.6Low66.1Low196 Ų196108.9 Ų108.974%0.7452%0.516SS*.Hα-helixtrans-65.9-46.5175.1178.8176.5-114.7-166-7.3110.2K326 K327 T333 S334K326-R330 PolarHBondContact O-N 2.99Å; K327-R330 WeakPolarHBondContact O-CB 3.49Å; K327-R330 PolarHBondContact O-N 3.43Å; R330-T333 PolarHBondContact O-N 3.06Å; R330-T333 VanDerWaalsContact O-N 3.16Å; R330-S334 PolarHBondContact O-N 3.01Å; R330-S334 VanDerWaalsContact O-N 3.07Å
331D60.5Low65.6Low65 Ų65107.4 Ų107.435%0.34851%0.513SS..Hα-helixtrans-64.8-43.2177.8-58.5-27.9000110.1K327 T333 S334 E335K327-D331 VanDerWaalsContact CG-OD2 3.23Å; K327-D331 WeakPolarHBondContact CG-OD2 3.34Å; K327-D331 VanDerWaalsContact O-CG 3.24Å; K327-D331 PolarHBondContact O-N 3.19Å; K327-D331 VanDerWaalsContact O-OD2 3.07Å; D331-T333 PolarHBondContact O-N 3.16Å; D331-T333 VanDerWaalsContact O-N 3.14Å; D331-S334 PolarHBondContact O-N 3.46Å; D331-S334 VanDerWaalsContact O-N 3.1Å; D331-E335 VanDerWaalsContact O-CB 3.26Å; D331-E335 WeakPolarHBondContact O-CB 3.31Å; D331-E335 VanDerWaalsContact O-CG 3.31Å; D331-E335 WeakPolarHBondContact O-CG 3.15Å; D331-E335 PolarHBondContact O-N 3Å
332K65.4Low65.7Low119 Ų119105.2 Ų105.252%0.51749%0.494SS..Hα-helixtrans-56.4-34.1173.9-166.665148.2-173.10113.4R328 N336R328-K332 WeakPolarHBondContact O-CB 3.31Å; R328-K332 PolarHBondContact O-N 3.01Å; K332-N336 VanDerWaalsContact O-CB 3.31Å; K332-N336 WeakPolarHBondContact O-CB 3.26Å; K332-N336 PolarHBondContact O-N 2.96Å
333T62.7Low66Low102 Ų102105.9 Ų105.963%0.62649%0.492SS*.Hα-helixtrans-78.2-37179.9-48.70000111.4K329 R330 D331K329-T333 PolarHBondContact O-N 2.86Å; K329-T333 VanDerWaalsContact O-N 3.15Å; K329-T333 PolarHBondContact O-OG1 2.96Å; R330-T333 PolarHBondContact O-N 3.06Å; R330-T333 VanDerWaalsContact O-N 3.16Å; D331-T333 PolarHBondContact O-N 3.16Å; D331-T333 VanDerWaalsContact O-N 3.14Å
334S62.1Low66.5Low85 Ų85104.4 Ų104.459%0.59449%0.493SS*.Hα-helixtrans-70.6-45174.4-165.10000111.4R330 D331 N336 A337R330-S334 PolarHBondContact O-N 3.01Å; R330-S334 VanDerWaalsContact O-N 3.07Å; D331-S334 PolarHBondContact O-N 3.46Å; D331-S334 VanDerWaalsContact O-N 3.1Å; S334-N336 VanDerWaalsContact C-N 3.32Å; S334-N336 PolarHBondContact O-N 3.12Å; S334-A337 PolarHBondContact O-N 2.97Å
335E60.4Low66.7Low97 Ų97106.8 Ų106.845%0.45350%0.498SS..Hα-helixtrans-63.5-34.5175.4-72.2-165.7146.200111.5D331 A337 E338 L339D331-E335 VanDerWaalsContact O-CB 3.26Å; D331-E335 WeakPolarHBondContact O-CB 3.31Å; D331-E335 VanDerWaalsContact O-CG 3.31Å; D331-E335 WeakPolarHBondContact O-CG 3.15Å; D331-E335 PolarHBondContact O-N 3Å; E335-A337 PolarHBondContact O-N 3.23Å; E335-E338 CarbonylContact O-C 3.35Å; E335-E338 WeakPolarHBondContact O-CA 3.42Å; E335-E338 PolarHBondContact O-N 3.16Å; E335-L339 HydrophobicContact CB-CD1 3.97Å; E335-L339 HydrophobicContact CB-CG 4.28Å; E335-L339 VanDerWaalsContact O-CB 3.3Å; E335-L339 WeakPolarHBondContact O-CB 3.4Å; E335-L339 WeakPolarHBondContact O-CD1 3.5Å; E335-L339 WeakPolarHBondContact O-CG 3.04Å; E335-L339 PolarHBondContact O-N 3.33Å
336N61.4Low66.9Low93 Ų93101.2 Ų101.250%0.49747%0.474SS..Hα-helixtrans-59.4-23.1178.4-162.830.7000113.8K332 S334 K340K332-N336 VanDerWaalsContact O-CB 3.31Å; K332-N336 WeakPolarHBondContact O-CB 3.26Å; K332-N336 PolarHBondContact O-N 2.96Å; S334-N336 VanDerWaalsContact C-N 3.32Å; S334-N336 PolarHBondContact O-N 3.12Å; N336-K340 WeakPolarHBondContact O-CG 3.3Å
337A62.4Low67.2Low63 Ų6398.2 Ų98.252%0.52147%0.47SS..Hα-helixtrans-81.6-28171.800000113S334 E335S334-A337 PolarHBondContact O-N 2.97Å; E335-A337 PolarHBondContact O-N 3.23Å
338E62.4Low67.9Low69 Ų6996.5 Ų96.532%0.32247%0.467SS..Hα-helixtrans-88.8-26.8179.1-166.4154.1-145.900112.4E335 K340 K341 C355 K356E335-E338 CarbonylContact O-C 3.35Å; E335-E338 WeakPolarHBondContact O-CA 3.42Å; E335-E338 PolarHBondContact O-N 3.16Å; E338-K340 VanDerWaalsContact C-N 3.3Å; E338-K340 PolarHBondContact O-N 3.15Å; E338-K341 WeakPolarHBondContact O-CB 3.29Å; E338-K341 PolarHBondContact O-N 3.16Å; E338-C355 HydrophobicContact CG-CB 3.77Å; E338-C355 WeakPolarHBondContact O-CB 3.43Å; E338-K356 WeakPolarHBondContact OE1-CB 3.37Å; E338-K356 WeakPolarHBondContact OE1-CD 3.46Å; E338-K356 WeakPolarHBondContact OE1-CG 3.18Å
339L63Low68.6Low28 Ų2894.9 Ų94.915%0.14747%0.472CS..Hα-helixtrans-67-29.9174.1-71.3166.7000112.8E335 K341 C342 W366E335-L339 HydrophobicContact CB-CD1 3.97Å; E335-L339 HydrophobicContact CB-CG 4.28Å; E335-L339 VanDerWaalsContact O-CB 3.3Å; E335-L339 WeakPolarHBondContact O-CB 3.4Å; E335-L339 WeakPolarHBondContact O-CD1 3.5Å; E335-L339 WeakPolarHBondContact O-CG 3.04Å; E335-L339 PolarHBondContact O-N 3.33Å; L339-K341 PolarHBondContact O-N 2.98Å; L339-C342 PolarHBondContact O-N 2.8Å; L339-W366 HydrophobicContact CD1-CH2 3.4Å; L339-W366 VanDerWaalsContact CD1-CH2 3.4Å; L339-W366 HydrophobicContact CD1-CZ2 3.24Å; L339-W366 HydrophobicContact CD1-CZ3 4.25Å; L339-W366 HydrophobicContact CD2-CD2 3.58Å; L339-W366 HydrophobicContact CD2-CE3 4.26Å; L339-W366 HydrophobicContact CD2-CG 3.97Å; L339-W366 HydrophobicContact CD2-CH2 4.01Å; L339-W366 HydrophobicContact CD2-CZ2 3.31Å; L339-W366 HydrophobicContact CD2-CZ3 4.44Å; L339-W366 HydrophobicContact CG-CH2 4.25Å; L339-W366 HydrophobicContact CG-CZ2 3.87Å
340K63.4Low69.3Low136 Ų13691.5 Ų91.559%0.59146%0.459SS*.THydrogen-bonded Turntrans-69.26.4173.1-72.2179.4-175.8-177.20113.9N336 E338 F346N336-K340 WeakPolarHBondContact O-CG 3.3Å; E338-K340 VanDerWaalsContact C-N 3.3Å; E338-K340 PolarHBondContact O-N 3.15Å; K340-F346 WeakPolarHBondContact O-CE2 3.3Å; K340-F346 WeakPolarHBondContact O-CZ 3.15Å
341K67.6Low69.9Low101 Ų10186.3 Ų86.344%0.43944%0.443SS..THydrogen-bonded Turntrans-122.98.3-177.1-63.3-179-166.9-179.80112.3E338 L339 L353 W354 C355E338-K341 WeakPolarHBondContact O-CB 3.29Å; E338-K341 PolarHBondContact O-N 3.16Å; L339-K341 PolarHBondContact O-N 2.98Å; K341-L353 CarbonylContact C-O 3.28Å; K341-L353 VanDerWaalsContact C-O 3.28Å; K341-L353 WeakPolarHBondContact CA-O 3.3Å; K341-L353 WeakPolarHBondContact CB-O 3.41Å; K341-L353 CarbonylContact O-C 3.47Å; K341-W354 CarbonylContact O-C 3.52Å; K341-W354 WeakPolarHBondContact O-CA 3.09Å; K341-C355 HydrophobicContact CB-CB 3.99Å; K341-C355 PolarHBondContact O-N 2.71Å
342C75.5Confident71Confident6 Ų688.4 Ų88.44%0.04146%0.463CS..  trans-80.8151-169.9-174.70000115.3L339 A344 R345 F346 C358 C364L339-C342 PolarHBondContact O-N 2.8Å; C342-A344 PolarHBondContact O-N 2.84Å; C342-R345 PolarHBondContact O-N 3.14Å; C342-F346 WeakPolarHBondContact O-CD2 3.1Å; C342-F346 PolarHBondContact O-N 3.04Å; C342-C358 HydrophobicContact CB-CB 4.37Å; C342-C358 WeakPolarHBondContact CB-SG 2.91Å; C342-C358 WeakPolarHBondContact SG-CB 3.26Å; C342-C358 CovalentContact SG-SG 2.05Å; C342-C358 PolarHBondContact SG-SG 3.43Å; C342-C364 WeakPolarHBondContact SG-CB 3.47Å; C342-C364 PolarHBondContact SG-SG 3.01Å
343R79.2Confident71.7Confident87 Ų8786.3 Ų86.333%0.32846%0.457SS..Hα-helixtrans-36.9-37.5173.2178.9172.6-164.7-132.4-4.4114.7R345 G347 W354 C358 K362 C364R343-R345 VanDerWaalsContact C-N 3.3Å; R343-R345 PolarHBondContact O-N 2.72Å; R343-G347 PolarHBondContact O-N 3.1Å; R343-G347 VanDerWaalsContact O-N 3.14Å; R343-W354 HydrophobicContact CB-CD2 3.99Å; R343-W354 HydrophobicContact CB-CE3 4.24Å; R343-W354 HydrophobicContact CB-CH2 4.28Å; R343-W354 HydrophobicContact CB-CZ2 3.97Å; R343-W354 HydrophobicContact CB-CZ3 4.38Å; R343-W354 VanDerWaalsContact CD-CH2 3.41Å; R343-W354 HydrophobicContact CG-CD2 4.44Å; R343-W354 HydrophobicContact CG-CH2 3.7Å; R343-W354 HydrophobicContact CG-CZ2 3.51Å; R343-W354 HydrophobicContact CG-CZ3 4.2Å; R343-W354 VanDerWaalsContact NE-CH2 3.33Å; R343-C358 HydrophobicContact CB-CB 3.82Å; R343-K362 WeakPolarHBondContact CD-O 3.36Å; R343-K362 VanDerWaalsContact CZ-O 3.27Å; R343-K362 PolarHBondContact NH1-O 2.95Å; R343-C364 HydrophobicContact CB-CB 4.45Å
344A77.3Confident72.8Confident49 Ų4982.2 Ų82.241%0.40543%0.43SS..Hα-helixtrans-62.6-29.6176.500000114.9C342 C364 F367C342-A344 PolarHBondContact O-N 2.84Å; A344-C364 HydrophobicContact CB-CB 4.06Å; A344-C364 WeakPolarHBondContact CB-SG 2.98Å; A344-F367 HydrophobicContact CB-CB 4.15Å; A344-F367 HydrophobicContact CB-CD2 3.58Å; A344-F367 HydrophobicContact CB-CE2 4.44Å; A344-F367 HydrophobicContact CB-CG 4.28Å
345R75.4Confident73.8Confident201 Ų20178.7 Ų78.776%0.75841%0.405SS*.Hα-helixtrans-96.2-32.4-179-66.2-17173.5101.42.8113.4C342 R343C342-R345 PolarHBondContact O-N 3.14Å; R343-R345 VanDerWaalsContact C-N 3.3Å; R343-R345 PolarHBondContact O-N 2.72Å
346F75.3Confident74.8Confident50 Ų5080.5 Ų80.522%0.21941%0.411CS..Hα-helixtrans-101.7-1.6-171.2-68.7-82000113.6K340 C342 Q350 L353K340-F346 WeakPolarHBondContact O-CE2 3.3Å; K340-F346 WeakPolarHBondContact O-CZ 3.15Å; C342-F346 WeakPolarHBondContact O-CD2 3.1Å; C342-F346 PolarHBondContact O-N 3.04Å; F346-Q350 HydrophobicContact CB-CB 3.99Å; F346-L353 HydrophobicContact CD1-CB 3.79Å; F346-L353 HydrophobicContact CD1-CD1 3.94Å; F346-L353 HydrophobicContact CD1-CG 4.48Å; F346-L353 HydrophobicContact CE1-CB 4.12Å; F346-L353 HydrophobicContact CE1-CD1 4.08Å; F346-L353 HydrophobicContact CG-CB 4.04Å
347G76.4Confident75.8Confident32 Ų3278.6 Ų78.633%0.3340%0.399SS..THydrogen-bonded Turntrans63.7-171.5-17900000112.8R343 D349 W354R343-G347 PolarHBondContact O-N 3.1Å; R343-G347 VanDerWaalsContact O-N 3.14Å; G347-D349 VanDerWaalsContact C-N 3.29Å; G347-W354 VanDerWaalsContact O-CZ2 3.27Å; G347-W354 WeakPolarHBondContact O-CZ2 3.45Å; G347-W354 PolarHBondContact O-NE1 3.07Å
348L80.3Confident77Confident102 Ų10275.7 Ų75.753%0.53438%0.375SS..THydrogen-bonded Turntrans-75.6-20-178.8-142.1143.1000113Q351L348-Q351 WeakPolarHBondContact O-CG 3.21Å
349D77.1Confident78Confident151 Ų15178.5 Ų78.581%0.80739%0.387SS*.THydrogen-bonded Turntrans-84-25.2-168.1-44.4-45.8000113G347G347-D349 VanDerWaalsContact C-N 3.29Å
350Q80Confident79Confident90 Ų9086.7 Ų86.742%0.42142%0.415SS..  trans-110.955.3-173.6-64.9176.939.300112.4F346 S352 L353 W354F346-Q350 HydrophobicContact CB-CB 3.99Å; Q350-S352 PolarHBondContact O-N 3.08Å; Q350-S352 VanDerWaalsContact O-N 3.17Å; Q350-L353 HydrophobicContact CB-CB 4.38Å; Q350-L353 HydrophobicContact CB-CD1 4.22Å; Q350-L353 PolarHBondContact O-N 3.4Å; Q350-W354 PolarHBondContact O-NE1 3.04Å
351Q80.4Confident80Confident86 Ų8687 Ų8740%0.40242%0.417SS..G310 helixtrans-61.3-23.8-178-61.8-177.144.700114.3L348 L353 W354L348-Q351 WeakPolarHBondContact O-CG 3.21Å; Q351-L353 VanDerWaalsContact C-N 3.3Å; Q351-W354 HydrophobicContact CB-CD2 4.47Å; Q351-W354 HydrophobicContact CG-CD2 4.48Å; Q351-W354 HydrophobicContact CG-CH2 4.23Å; Q351-W354 HydrophobicContact CG-CZ2 4.04Å; Q351-W354 WeakPolarHBondContact O-CB 3Å; Q351-W354 PolarHBondContact O-N 3.25Å
352S82.4Confident80.6Confident110 Ų11087.3 Ų87.377%0.76942%0.418SS*.G310 helixtrans-70.7-28.2175.755.20000112.7Q350Q350-S352 PolarHBondContact O-N 3.08Å; Q350-S352 VanDerWaalsContact O-N 3.17Å
353L81.8Confident80.7Confident75 Ų7593 Ų9339%0.39344%0.442SS..G310 helixtrans-91.112.7176.3-68.7165.8000111.5K341 F346 Q350 Q351K341-L353 CarbonylContact C-O 3.28Å; K341-L353 VanDerWaalsContact C-O 3.28Å; K341-L353 WeakPolarHBondContact CA-O 3.3Å; K341-L353 WeakPolarHBondContact CB-O 3.41Å; K341-L353 CarbonylContact O-C 3.47Å; F346-L353 HydrophobicContact CD1-CB 3.79Å; F346-L353 HydrophobicContact CD1-CD1 3.94Å; F346-L353 HydrophobicContact CD1-CG 4.48Å; F346-L353 HydrophobicContact CE1-CB 4.12Å; F346-L353 HydrophobicContact CE1-CD1 4.08Å; F346-L353 HydrophobicContact CG-CB 4.04Å; Q350-L353 HydrophobicContact CB-CB 4.38Å; Q350-L353 HydrophobicContact CB-CD1 4.22Å; Q350-L353 PolarHBondContact O-N 3.4Å; Q351-L353 VanDerWaalsContact C-N 3.3Å
354W85.1Confident80.6Confident16 Ų1689.5 Ų89.56%0.06143%0.431CS..  trans-78.5140.3175.6-72.412.5000112.2K341 R343 G347 Q350 Q351 C358 K359 K362K341-W354 CarbonylContact O-C 3.52Å; K341-W354 WeakPolarHBondContact O-CA 3.09Å; R343-W354 HydrophobicContact CB-CD2 3.99Å; R343-W354 HydrophobicContact CB-CE3 4.24Å; R343-W354 HydrophobicContact CB-CH2 4.28Å; R343-W354 HydrophobicContact CB-CZ2 3.97Å; R343-W354 HydrophobicContact CB-CZ3 4.38Å; R343-W354 VanDerWaalsContact CD-CH2 3.41Å; R343-W354 HydrophobicContact CG-CD2 4.44Å; R343-W354 HydrophobicContact CG-CH2 3.7Å; R343-W354 HydrophobicContact CG-CZ2 3.51Å; R343-W354 HydrophobicContact CG-CZ3 4.2Å; R343-W354 VanDerWaalsContact NE-CH2 3.33Å; G347-W354 VanDerWaalsContact O-CZ2 3.27Å; G347-W354 WeakPolarHBondContact O-CZ2 3.45Å; G347-W354 PolarHBondContact O-NE1 3.07Å; Q350-W354 PolarHBondContact O-NE1 3.04Å; Q351-W354 HydrophobicContact CB-CD2 4.47Å; Q351-W354 HydrophobicContact CG-CD2 4.48Å; Q351-W354 HydrophobicContact CG-CH2 4.23Å; Q351-W354 HydrophobicContact CG-CZ2 4.04Å; Q351-W354 WeakPolarHBondContact O-CB 3Å; Q351-W354 PolarHBondContact O-N 3.25Å; W354-C358 VanDerWaalsContact CE3-O 3.27Å; W354-K359 HydrophobicContact CB-CB 4.34Å; W354-K362 HydrophobicContact CZ3-CD 3.84Å
355C83.5Confident80.3Confident10 Ų1092.9 Ų92.97%0.06844%0.442CS..  trans-66.3155.8170.590.60000110.2E338 K341 H357 C358 K359E338-C355 HydrophobicContact CG-CB 3.77Å; E338-C355 WeakPolarHBondContact O-CB 3.43Å; K341-C355 HydrophobicContact CB-CB 3.99Å; K341-C355 PolarHBondContact O-N 2.71Å; C355-H357 PolarHBondContact O-N 3.06Å; C355-H357 VanDerWaalsContact O-N 3.14Å; C355-C358 PolarHBondContact O-N 3.36Å; C355-C358 PolarHBondContact SG-N 3.14Å; C355-C358 VanDerWaalsContact SG-N 3.45Å; C355-C358 PolarHBondContact SG-SG 3.44Å; C355-K359 PolarHBondContact O-N 2.84Å
356K81.8Confident79.8Confident135 Ų13590.6 Ų90.659%0.58743%0.433SS*.Hα-helixtrans-51.8-41.7-176.6-76.2-180-178.6-167.40112.5E338 K359 R360E338-K356 WeakPolarHBondContact OE1-CB 3.37Å; E338-K356 WeakPolarHBondContact OE1-CD 3.46Å; E338-K356 WeakPolarHBondContact OE1-CG 3.18Å; K356-K359 PolarHBondContact O-N 3.03Å; K356-R360 WeakPolarHBondContact O-CB 3.4Å; K356-R360 PolarHBondContact O-N 3.45Å
357H82.4Confident79.2Confident53 Ų5393.6 Ų93.625%0.24545%0.446CS..Hα-helixtrans-63.3-49.3177.8-171.391.2000112.8C355 K359 R360 K361 L365C355-H357 PolarHBondContact O-N 3.06Å; C355-H357 VanDerWaalsContact O-N 3.14Å; H357-K359 VanDerWaalsContact C-N 3.26Å; H357-K359 PolarHBondContact O-N 3.18Å; H357-R360 PolarHBondContact O-N 2.94Å; H357-K361 PolarHBondContact O-N 3.23Å; H357-L365 HydrophobicContact CB-CD1 4.46Å; H357-L365 VanDerWaalsContact CD2-CD1 3.5Å; H357-L365 WeakPolarHBondContact CD2-CD1 3.36Å; H357-L365 WeakPolarHBondContact CE1-CD1 3.27Å; H357-L365 VanDerWaalsContact ND1-CD1 3.3Å; H357-L365 WeakPolarHBondContact ND1-CD1 3.28Å; H357-L365 VanDerWaalsContact NE2-CD1 3.3Å; H357-L365 WeakPolarHBondContact NE2-CD1 3.43Å; H357-L365 VanDerWaalsContact NE2-CG 3.29Å; H357-L365 WeakPolarHBondContact NE2-CG 3.34Å
358C86.2Confident78.3Confident2 Ų2100 Ų1001%0.01447%0.465CS..Hα-helixtrans-68.5-28.8-177.1-52.20000111.1C342 R343 W354 C355 K362C342-C358 HydrophobicContact CB-CB 4.37Å; C342-C358 WeakPolarHBondContact CB-SG 2.91Å; C342-C358 WeakPolarHBondContact SG-CB 3.26Å; C342-C358 CovalentContact SG-SG 2.05Å; C342-C358 PolarHBondContact SG-SG 3.43Å; R343-C358 HydrophobicContact CB-CB 3.82Å; W354-C358 VanDerWaalsContact CE3-O 3.27Å; C355-C358 PolarHBondContact O-N 3.36Å; C355-C358 PolarHBondContact SG-N 3.14Å; C355-C358 VanDerWaalsContact SG-N 3.45Å; C355-C358 PolarHBondContact SG-SG 3.44Å; C358-K362 VanDerWaalsContact O-CA 3.28Å; C358-K362 WeakPolarHBondContact O-CA 3.31Å; C358-K362 PolarHBondContact O-N 3.2Å
359K84.5Confident77Confident129 Ų129101 Ų10156%0.56147%0.47SS*.Hα-helixtrans-70.1-43.4171.9-161.4177.3-173.3-175.20112.7W354 C355 K356 H357W354-K359 HydrophobicContact CB-CB 4.34Å; C355-K359 PolarHBondContact O-N 2.84Å; K356-K359 PolarHBondContact O-N 3.03Å; H357-K359 VanDerWaalsContact C-N 3.26Å; H357-K359 PolarHBondContact O-N 3.18Å
360R84Confident75.2Confident199 Ų19999.6 Ų99.675%0.75146%0.463SS*.Hα-helixtrans-72.5-53.8-178-167.8-174.4-62157.2-2.2112.8K356 H357K356-R360 WeakPolarHBondContact O-CB 3.4Å; K356-R360 PolarHBondContact O-N 3.45Å; H357-R360 PolarHBondContact O-N 2.94Å
361K83.1Confident73.7Confident144 Ų144101.4 Ų101.463%0.62648%0.476SS*.Hα-helixtrans-91-1.8-173.5-64.9-158.4-178.1-171.40114.1H357 K363H357-K361 PolarHBondContact O-N 3.23Å; K361-K363 PolarHBondContact O-N 2.75Å
362K80.9Confident71.9Confident106 Ų106105.5 Ų105.546%0.46150%0.497SS..SBendtrans4914.7-170.4-61.3-64.6-171.6175.80113.6R343 W354 C358R343-K362 WeakPolarHBondContact CD-O 3.36Å; R343-K362 VanDerWaalsContact CZ-O 3.27Å; R343-K362 PolarHBondContact NH1-O 2.95Å; W354-K362 HydrophobicContact CZ3-CD 3.84Å; C358-K362 VanDerWaalsContact O-CA 3.28Å; C358-K362 WeakPolarHBondContact O-CA 3.31Å; C358-K362 PolarHBondContact O-N 3.2Å
363K77Confident70Confident127 Ų127108 Ų10855%0.55250%0.502SS*.SBendtrans-127.1141.2178-165.8163.3-179178.20108.7K361K361-K363 PolarHBondContact O-N 2.75Å
364C78.2Confident68.1Low12 Ų12110.5 Ų110.58%0.08153%0.526CS..  trans-83120176.9174.40000108.9C342 R343 A344 W366 F367C342-C364 WeakPolarHBondContact SG-CB 3.47Å; C342-C364 PolarHBondContact SG-SG 3.01Å; R343-C364 HydrophobicContact CB-CB 4.45Å; A344-C364 HydrophobicContact CB-CB 4.06Å; A344-C364 WeakPolarHBondContact CB-SG 2.98Å; C364-W366 PolarHBondContact O-N 3.47Å; C364-W366 PolarHBondContact SG-N 3.07Å; C364-F367 HydrophobicContact CB-CB 3.68Å; C364-F367 PolarHBondContact O-N 3.17Å; C364-F367 PolarHBondContact SG-N 3.27Å
365L70.4Confident66Low121 Ų121114.2 Ų114.263%0.63456%0.56SS**THydrogen-bonded Turntrans-61.4-24.9173.3-106.4164.6000113.2H357H357-L365 HydrophobicContact CB-CD1 4.46Å; H357-L365 VanDerWaalsContact CD2-CD1 3.5Å; H357-L365 WeakPolarHBondContact CD2-CD1 3.36Å; H357-L365 WeakPolarHBondContact CE1-CD1 3.27Å; H357-L365 VanDerWaalsContact ND1-CD1 3.3Å; H357-L365 WeakPolarHBondContact ND1-CD1 3.28Å; H357-L365 VanDerWaalsContact NE2-CD1 3.3Å; H357-L365 WeakPolarHBondContact NE2-CD1 3.43Å; H357-L365 VanDerWaalsContact NE2-CG 3.29Å; H357-L365 WeakPolarHBondContact NE2-CG 3.34Å
366W64.4Low64.1Low153 Ų153121 Ų12158%0.5860%0.595SS**THydrogen-bonded Turntrans-101.8-6.4-172.8-76.454000113.3L339 C364 K368L339-W366 HydrophobicContact CD1-CH2 3.4Å; L339-W366 VanDerWaalsContact CD1-CH2 3.4Å; L339-W366 HydrophobicContact CD1-CZ2 3.24Å; L339-W366 HydrophobicContact CD1-CZ3 4.25Å; L339-W366 HydrophobicContact CD2-CD2 3.58Å; L339-W366 HydrophobicContact CD2-CE3 4.26Å; L339-W366 HydrophobicContact CD2-CG 3.97Å; L339-W366 HydrophobicContact CD2-CH2 4.01Å; L339-W366 HydrophobicContact CD2-CZ2 3.31Å; L339-W366 HydrophobicContact CD2-CZ3 4.44Å; L339-W366 HydrophobicContact CG-CH2 4.25Å; L339-W366 HydrophobicContact CG-CZ2 3.87Å; C364-W366 PolarHBondContact O-N 3.47Å; C364-W366 PolarHBondContact SG-N 3.07Å; W366-K368 PolarHBondContact O-N 3.44Å
367F63.6Low62.1Low112 Ų112122.9 Ų122.949%0.49161%0.612SS.*  trans-82.997.6171-155.9-100.9000105.5A344 C364 D369A344-F367 HydrophobicContact CB-CB 4.15Å; A344-F367 HydrophobicContact CB-CD2 3.58Å; A344-F367 HydrophobicContact CB-CE2 4.44Å; A344-F367 HydrophobicContact CB-CG 4.28Å; C364-F367 HydrophobicContact CB-CB 3.68Å; C364-F367 PolarHBondContact O-N 3.17Å; C364-F367 PolarHBondContact SG-N 3.27Å; F367-D369 PolarHBondContact O-N 3.02Å
368K58.2Low60.3Low168 Ų168125 Ų12573%0.7364%0.638SS**  trans-69.8120.4166.2-130.6163.1174.8179.70105.2W366 N370W366-K368 PolarHBondContact O-N 3.44Å; K368-N370 VanDerWaalsContact C-N 3.35Å; K368-N370 PolarHBondContact O-N 3.26Å
369D52Low58.4Low121 Ų121133.7 Ų133.765%0.64768%0.679SS**  trans-53.3102167.9-64.1-47.2000106.9F367F367-D369 PolarHBondContact O-N 3.02Å
370N40.6Very low56.1Low123 Ų123136.9 Ų136.966%0.65870%0.695SS**  trans-1319.1-177.4-97.3-35.3000112.7K368K368-N370 VanDerWaalsContact C-N 3.35Å; K368-N370 PolarHBondContact O-N 3.26Å
371D47.6Very low53.9Low127 Ų127132.8 Ų132.868%0.67970%0.697SS**SBendtrans-13318.3-173.6-66.4-59.3000115
372M43.4Very low52.3Low173 Ų173131.6 Ų131.685%0.85271%0.705SS**SBendtrans-128.82.3-175.6-74.6-67.314300117.6
373D41.4Very low50.4Low163 Ų163132.7 Ų132.787%0.87272%0.722SS**SBendtrans-121.733.7-179.3-64.8-49000114.1
374S41.3Very low48.7Very low127 Ų127130.5 Ų130.589%0.88873%0.728SS**  trans-139.823.3178.9-61.20000115.6
375A42.1Very low47Very low94 Ų94138 Ų13878%0.77776%0.762SS**  trans-114.248.1178.200000112.7
376D42.7Very low45.4Very low153 Ų153138.9 Ų138.982%0.81877%0.772SS**SBendtrans-147.977.1167.7-84.6-39.2000108.3
377N39.6Very low44.1Very low173 Ų173137.8 Ų137.893%0.92578%0.782SS**  trans169.582.9158-99.9-70.4000109.7
378A46Very low43Very low97 Ų97137.8 Ų137.880%0.80280%0.796SS**  trans-16294.2158.800000110
379E44.8Very low42.2Very low186 Ų186135.8 Ų135.887%0.86980%0.798SS**  trans41.5112.8149.8-77.9179.996.700120.7S381E379-S381 PolarHBondContact O-N 2.05Å
380Q37.7Very low41.8Very low195 Ų195134.8 Ų134.891%0.91180%0.796SS**  trans-38.1117.5151.1-76.8154.7-13.100112.5
381S37.4Very low42Very low113 Ų113135.6 Ų135.679%0.7980%0.796SS**  trans-117.5125.2159.2-69.60000109E379E379-S381 PolarHBondContact O-N 2.05Å
382P48.6Very low41.6Very low120 Ų120137.7 Ų137.778%0.77980%0.799SS**  trans-87144.3159.232.2-25.8000110
383P40.7Very low41.5Very low128 Ų128135.8 Ų135.883%0.83179%0.792SS**  trans-94.1136.1-169.635.3-30000111.2
384A43.1Very low41.6Very low82 Ų82134.5 Ų134.568%0.67879%0.79SS**  trans-167.6120.8147.800000112
385H41.8Very low41.5Very low170 Ų170131.8 Ų131.879%0.78778%0.782SS**  trans51.1116.4139.483.3-40.8000120.2
386V37.5Very low41.6Very low139 Ų139131.6 Ų131.684%0.84278%0.78SS**  trans-142.7124.5138.6-75.50000108.4
387T36.5Very low41.6Very low130 Ų130131.9 Ų131.980%0.79878%0.782SS**  trans-175.4108.1134.7-65.10000108
388S40.4Very low41.7Very low111 Ų111127.1 Ų127.178%0.77677%0.774SS**  trans-176.9105.6132.9-81.90000110.2
389T41.8Very low41.3Very low126 Ų126130.8 Ų130.877%0.77378%0.779SS**  42111.9118.8-560000117.7
390T42.9Very low41Very low100 Ų100125.7 Ų125.761%0.61377%0.769SS**  137.9103.1124.5-49.40000114.1
391Q45.8Very low41.1Very low141 Ų141126 Ų12666%0.65977%0.767SS**  trans64.6146.9134.2-55.21693.600123.1
392F38.8Very low41.3Very low170 Ų170125.8 Ų125.875%0.74677%0.765SS**  trans81.8139.2158.2-51.4-66.2000116.7
393L39.8Very low40.9Very low133 Ų133127.1 Ų127.170%0.69677%0.766SS**  cis-179.7146.7-16.9-115.3173.5000103.8
394T43.6Very low41Very low137 Ų137128 Ų12884%0.8476%0.764SS**  trans64.4137.5159.6660000118.2
395G39.3Very low40.9Very low69 Ų69130.8 Ų130.871%0.71177%0.767SS**  cis171.3170.13.200000109.5
396A45.9Very low41.1Very low90 Ų90128.7 Ų128.774%0.74477%0.767SS**  trans65.5141.5155.800000118.2
397D42.3Very low41.2Very low159 Ų159129.6 Ų129.685%0.8577%0.766SS**  cis-165.9142.4-3.9-84.2-38.3000106.4
398G40.7Very low41.3Very low73 Ų73130.6 Ų130.675%0.75377%0.766SS**  104.8110.111100000114
399L37.7Very low41.4Very low174 Ų174135.5 Ų135.591%0.91177%0.767SS**  94.6101.789.2-161.274.4000111.9
400A38.5Very low41.4Very low79 Ų79135.5 Ų135.565%0.65376%0.761SS**  92.3140.772.700000116.6
401K41.1Very low41.4Very low202 Ų202137 Ų13788%0.87877%0.77SS**  trans80.5149.4159.7-71.7164174.9167.50118.1
402S40.5Very low41.3Very low108 Ų108134.9 Ų134.976%0.75577%0.771SS**  cis-175.5169.6-6.347.30000109.3
403N39.3Very low41.2Very low148 Ų148134.9 Ų134.979%0.79178%0.779SS**  trans-62.2163.8-176.5-47.8-39.7000116.9
404D43.6Very low41Very low147 Ų147132.4 Ų132.479%0.78679%0.785SS**  170.4155.9108.2-106.8-82.8000114.7
405D40.2Very low40.7Very low140 Ų140128.9 Ų128.975%0.74978%0.776SS**  trans-56.8168.6-174-71.8-84.4000118.8
406T46.5Very low40.8Very low126 Ų126132.3 Ų132.377%0.77378%0.778SS**  trans-177.8113.2135.1-75.40000115.5
407L40.2Very low40.5Very low158 Ų158136.5 Ų136.583%0.82778%0.782SS**  trans59.5123.1133.4-62.1174.4000126.5
408L39Very low40.5Very low152 Ų152133.4 Ų133.480%0.79677%0.773SS**  trans-32.7159.1147-69.7153.7000117.6
409R41.4Very low40.5Very low214 Ų214134.7 Ų134.781%0.80878%0.776SS**  162.6123.4115.6-79.3-110.6-176.5162.9-6.5115.9
410I42.5Very low40.7Very low126 Ų126130.7 Ų130.765%0.64677%0.768SS**  trans72.2141.3130.9-43.4168.2000122
411V41.9Very low41.1Very low131 Ų131130.9 Ų130.979%0.79477%0.77SS**  trans113.3140.4138.2-174.40000114
412S44.3Very low41Very low97 Ų97128.5 Ų128.568%0.67877%0.767SS**  cis-178.2148.5-29.2-82.60000106.8
413N37.2Very low41.1Very low170 Ų170127.5 Ų127.591%0.90977%0.765SS**  trans19.8147.9146.9-71.52.8000124.7
414G34.6Very low41.1Very low81 Ų81126.2 Ų126.284%0.83577%0.767SS**  trans124.5106.6133.700000114.9
415G38Very low40.8Very low62 Ų62124.5 Ų124.564%0.63977%0.767SS**  111.1149.2108.500000109
416D40.7Very low41.1Very low142 Ų142122.4 Ų122.476%0.75976%0.761SS**  cis-166.6157.19.8-69.7-49.8000108.2
417E41.2Very low40.7Very low178 Ų178124.7 Ų124.783%0.83276%0.763SS**  trans52.8150.8138.6-69.4176.994.200122.2
418S41.6Very low40.9Very low94 Ų94121.4 Ų121.466%0.65775%0.753SS**  cis179.1162.5-17.752.50000107.8
419A41Very low41Very low100 Ų100122.7 Ų122.783%0.82676%0.755SS**  trans73.6145.4158.400000119.5
420A41.3Very low40.8Very low89 Ų89118.8 Ų118.874%0.73675%0.754SS**  cis-177159.9-12.800000108.1
421A46.5Very low40.8Very low84 Ų84118.4 Ų118.469%0.69476%0.758SS**  trans65.4145148.100000119
422D38.7Very low40.6Very low152 Ų152119.6 Ų119.681%0.81376%0.759SS**  cis-168.1156.32.7-105.8-30.8000109.6
423A42.9Very low40.6Very low87 Ų87121.1 Ų121.172%0.71976%0.764SS**  trans38.5132.5144.300000120
424S40.6Very low40.8Very low120 Ų120119.1 Ų119.184%0.83976%0.758SS**  cis174.7141.34819.80000110.4
425S35.9Very low41.3Very low112 Ų112122 Ų12278%0.78376%0.76SS**  trans-85.8-168.9161.9-145.80000108.7
426P47.2Very low41.2Very low95 Ų95123.3 Ų123.362%0.61777%0.765SS**  cis-149.7-167.84.421.69.7000116
427H38.1Very low41.3Very low174 Ų174123.7 Ų123.781%0.80677%0.772SS**  trans74.6146.4152-77.8-73000119
428S43.8Very low41.1Very low90 Ų90119.6 Ų119.663%0.62977%0.769SS**  cis173.9139.5-1946.90000105.7
429H41.4Very low41.1Very low179 Ų179121.7 Ų121.783%0.82978%0.778SS**  trans-178.4133.5131.164.8-73.7000110.4
430V37.8Very low41.1Very low131 Ų131122.1 Ų122.179%0.79477%0.77SS**  trans-106.8132.8172.11690000106.3
431T42.5Very low41.2Very low118 Ų118123.6 Ų123.672%0.72477%0.77SS**  trans-145110.8156.6-42.60000109.8
432L36.6Very low40.9Very low156 Ų156127.3 Ų127.382%0.81778%0.776SS**  trans-82.6136.9164-79.6156.3000108.7
433T44.1Very low41.3Very low129 Ų129126.2 Ų126.279%0.79178%0.775SS**  trans-142.8117.3158.4-18.90000110.2
434T41.5Very low41Very low128 Ų128130.4 Ų130.479%0.78578%0.781SS**  trans-79.9136.9171.2-57.60000110.1
435T44.9Very low41.2Very low143 Ų143132.9 Ų132.988%0.87778%0.779SS**  trans-152124.8150.440.70000110.8
436A37.9Very low41.4Very low88 Ų88132.7 Ų132.773%0.72777%0.769SS**  trans-75.8155.5170.500000112.1
437T42Very low41.3Very low150 Ų150136.9 Ų136.992%0.9278%0.783SS**  trans-171.5132.7140.731.10000111.2
438A36.4Very low41Very low93 Ų93136.8 Ų136.877%0.76978%0.783SS**  trans-84.8157.9174.900000112.5
439T42Very low40.8Very low138 Ų138143.6 Ų143.685%0.84780%0.795SS**  trans175.7156.1152.723.90000108.9
440T41.7Very low40.9Very low108 Ų108145.8 Ų145.866%0.66380%0.796SS**  cis-176.3149.4-30.4-77.80000105.3
441T43.4Very low40.9Very low120 Ų120145.8 Ų145.874%0.73680%0.8SS**  trans87.7135.3142.937.40000127.7
442M40.5Very low40.5Very low163 Ų163143.3 Ų143.380%0.80380%0.798SS**  trans84.2143.2147.8-34.4-142.482.900119.3
443T45.1Very low40.5Very low129 Ų129143.5 Ų143.579%0.79180%0.799SS**  cis-164.7152.720.7-31.50000111.4
444M38.4Very low40.2Very low174 Ų174144.9 Ų144.986%0.85780%0.801SS**  trans-87.7149.8174.3-71-109.480.400113.9
445H43.8Very low39.8Very low172 Ų172145.5 Ų145.580%0.79681%0.805SS**  trans-166.6114.8140.8-150.3-121.3000115.5
446N41.2Very low39.2Very low108 Ų108142.7 Ų142.758%0.57880%0.796SS**  59.9116.3127.8-157-4.1000122.2
447M43.2Very low39.2Very low183 Ų183149.2 Ų149.290%0.90180%0.802SS**  -164.485.4123-150.58489.800111.6
448Q33.2Very low38.9Very low173 Ų173146.9 Ų146.981%0.80878%0.784SS**  trans-89.9122.5164.4-170.882.10.800108
449R40.2Very low39.1Very low233 Ų233152.9 Ų152.988%0.87979%0.787SS**  trans171.7110.8146.3-99.7179.2-137.5-123.910.6113.5
450R42.7Very low38.9Very low225 Ų225155.2 Ų155.285%0.84979%0.788SS**  150.6102.4123.4-86.6177.4179.8-156.8-0.5109
451C37.3Very low38.6Very low131 Ų131154 Ų15489%0.88579%0.788SS**  61.7111.1100-61.90000110.5
452G34Very low38.5Very low66 Ų66153.5 Ų153.568%0.6879%0.79SS**  cis129.6139.529.200000107
453L37.2Very low38.3Very low160 Ų160154.1 Ų154.184%0.83880%0.796SS**  trans73.7117.4165.8-56154.4000113.9
454N37.6Very low38.6Very low157 Ų157155.2 Ų155.284%0.8479%0.792SS**  -160.1149.756.3-80.4-62.9000113.1
455V34.3Very low39Very low142 Ų142156.2 Ų156.286%0.86180%0.795SS**  trans-89.1158-175161.40000111.9
456A31.8Very low39.2Very low84 Ų84156.4 Ų156.469%0.69480%0.796SS**  trans85.5133.6165.500000115.7
457R36.6Very low39.9Very low224 Ų224158.9 Ų158.985%0.84580%0.804SS**  cis-170.2142.739.6-161.4173.7-179105.50.7113.3
458D36.3Very low40.5Very low102 Ų102158.3 Ų158.355%0.54580%0.8SS.*  trans17.7124.8154.3-78.6-71.2000122.6
459R40Very low41.3Very low218 Ų218156.8 Ų156.882%0.82380%0.797SS**  72.5113.285.7-71-168.8-173.8119.6-9.6116.2
460H38.9Very low42.4Very low188 Ų188153.5 Ų153.587%0.8779%0.792SS**  -169.8132.7119.9-125.3-84.3000114.4
461A35.5Very low42.7Very low81 Ų81150 Ų15067%0.66979%0.79SS**  trans62.7104.1143.600000121.3
462S40.4Very low43.8Very low110 Ų110152.5 Ų152.577%0.76979%0.788SS**  -161.8119.1109.6-61.90000107E464S462-E464 PolarHBondContact O-N 2.83Å
463D36.2Very low44.9Very low176 Ų176158 Ų15894%0.94180%0.797SS**  trans-66.795.7169-66.3-46.7000108.2
464E51.1Low45.5Very low152 Ų152159.6 Ų159.671%0.7180%0.799SS**  trans-118.9107.8158.2-68.1-162.7167.700106.3S462 E466S462-E464 PolarHBondContact O-N 2.83Å; E464-E466 VanDerWaalsContact C-N 3.35Å; E464-E466 PolarHBondContact O-N 3.26Å
465E47.3Very low46.7Very low196 Ų196161.5 Ų161.592%0.91680%0.804SS**  trans-62.397.3170.3-64.5178.5166.100107.2E467E465-E467 PolarHBondContact O-N 3.37Å; E465-E467 VanDerWaalsContact O-N 3.16Å
466E48.9Very low47.9Very low176 Ų176163.5 Ų163.582%0.82280%0.804SS**  trans-72.2100.9169.7-71.3-175.5158.200107.4E464 E468E464-E466 VanDerWaalsContact C-N 3.35Å; E464-E466 PolarHBondContact O-N 3.26Å; E466-E468 PolarHBondContact O-N 2.81Å
467E56Low48.7Very low159 Ų159167.1 Ų167.174%0.74381%0.811SS**  trans-59.8102.1161.8-75.4-173.9153.800107.1E465 D469E465-E467 PolarHBondContact O-N 3.37Å; E465-E467 VanDerWaalsContact O-N 3.16Å; E467-D469 PolarHBondContact O-N 3.32Å; E467-D469 VanDerWaalsContact O-N 3.08Å
468E55.2Low49.7Very low172 Ų172163 Ų16380%0.80481%0.81SS**  trans-6799163.8-72.5176.6167.200107.1E466 E470E466-E468 PolarHBondContact O-N 2.81Å; E468-E470 VanDerWaalsContact C-N 3.29Å; E468-E470 PolarHBondContact O-N 3.03Å
469D50Low50.1Low141 Ų141161.3 Ų161.375%0.75482%0.817SS**  trans-65.390.9165.5-74.3-47.1000107.3E467 D471E467-D469 PolarHBondContact O-N 3.32Å; E467-D469 VanDerWaalsContact O-N 3.08Å; D469-D471 PolarHBondContact O-N 3.17Å
470E62.1Low50.1Low164 Ų164158.3 Ų158.377%0.76682%0.817SS**  trans-68.9107.2165-72.3-178.7167.500107.9E468 E472E468-E470 VanDerWaalsContact C-N 3.29Å; E468-E470 PolarHBondContact O-N 3.03Å; E470-E472 PolarHBondContact O-N 3.46Å
471D49.1Very low50.3Low152 Ų152154.4 Ų154.481%0.81381%0.812SS**  trans-64.592.3170.1-66.3-51.1000108.8D469 E473D469-D471 PolarHBondContact O-N 3.17Å; D471-E473 PolarHBondContact O-N 2.88Å; D471-E473 VanDerWaalsContact O-N 3.12Å
472E60.2Low50.7Low182 Ų182155.5 Ų155.585%0.8581%0.814SS**  trans-68104.7168.6-77.7-175.3172.400109E470E470-E472 PolarHBondContact O-N 3.46Å
473E57.9Low50.8Low183 Ų183156 Ų15686%0.85581%0.813SS**  trans-56.8134.5170.4-68.6-179.4162.300110.7D471 E475D471-E473 PolarHBondContact O-N 2.88Å; D471-E473 VanDerWaalsContact O-N 3.12Å; E473-E475 PolarHBondContact O-N 2.97Å
474E51Low51.2Low192 Ų192153.2 Ų153.290%0.89781%0.807SS**  trans-64.5107.4-177.3-61.8179.1155.400110.7
475E62.1Low51.1Low198 Ų198153.6 Ų153.693%0.92581%0.814SS**  trans-82.4125.1164-74.3-142.1172.600110.9E473E473-E475 PolarHBondContact O-N 2.97Å
476E58.2Low51.2Low184 Ų184148.8 Ų148.886%0.8680%0.802SS**  trans-66.3134.7-173.6-59.3-175.1159.100112.8V478E476-V478 PolarHBondContact O-N 2.61Å; E476-V478 VanDerWaalsContact O-N 3.12Å
477D49.6Very low51.3Low159 Ų159149.5 Ų149.585%0.8581%0.805SS**  trans-68.498.7178.7-162.83.5000110.3G479D477-G479 PolarHBondContact O-N 3.14Å; D477-G479 VanDerWaalsContact O-N 3.1Å
478V58.5Low51.4Low137 Ų137151.6 Ų151.683%0.8382%0.817SS**  trans-73.2100.7168.8-177.20000108.2E476 N480E476-V478 PolarHBondContact O-N 2.61Å; E476-V478 VanDerWaalsContact O-N 3.12Å; V478-N480 PolarHBondContact O-N 3.38Å
479G43.3Very low51.4Low67 Ų67150.6 Ų150.669%0.69182%0.818SS**  trans-55.9117.9-179.500000113.4D477D477-G479 PolarHBondContact O-N 3.14Å; D477-G479 VanDerWaalsContact O-N 3.1Å
480N41.4Very low51.2Low155 Ų155147.8 Ų147.883%0.82981%0.809SS**  trans-96.792.6163.6-156.355.8000108.7V478 S482V478-N480 PolarHBondContact O-N 3.38Å; N480-S482 PolarHBondContact O-N 2.94Å
481S42.5Very low50.7Low107 Ų107148.4 Ų148.475%0.74881%0.812SS**  trans-66.6110.3172.8132.80000109
482S42.9Very low50.7Low104 Ų104148.4 Ų148.473%0.72781%0.812SS**  trans-76.6117.9168.312.50000108.3N480 S484N480-S482 PolarHBondContact O-N 2.94Å; S482-S484 PolarHBondContact O-N 3.41Å
483T43.6Very low50.6Low121 Ų121148.9 Ų148.974%0.74281%0.814SS**  trans-65.3121.8170.857.20000108.5
484S44.3Very low50.2Low117 Ų117148 Ų14882%0.81882%0.815SS**  trans-82.2109.9171.9-48.20000107.1S482S482-S484 PolarHBondContact O-N 3.41Å
485D49.5Very low50.4Low160 Ų160143.4 Ų143.486%0.85681%0.81SS**  trans-109.3108.9165.3-110.6-47.8000107.5
486S49.1Very low49.6Very low94 Ų94140.9 Ų140.966%0.65780%0.803SS**  trans-111.1112.8172.449.90000108.4
487E50.6Low48.8Very low192 Ų192138 Ų13890%0.89780%0.802SS**  trans48.9105.7143.6-67.6169.4118.300118.2
488M59.2Low49.3Very low202 Ų202135.8 Ų135.8100%0.99580%0.796SS**  trans-125.3116.9148.6-121.3175.5-176.800109
489D54.5Low49.2Very low152 Ų152135.1 Ų135.181%0.81379%0.792SS**  trans-87.7163.4179.9-171.728000111
490S46.3Very low49.9Very low82 Ų82137.6 Ų137.657%0.57380%0.796SS**  trans76.4108168.171.60000119.6
491H51.8Low50.1Low176 Ų176136.6 Ų136.682%0.81579%0.789SS**  176.6122.695.3-94.2-73.1000110.7
492D48Very low50.8Low152 Ų152138.6 Ų138.681%0.81380%0.796SS**  trans-59.3135.8165.9-56.7-84.8000111.6
493E57.3Low51Low192 Ų192142.1 Ų142.190%0.89780%0.799SS**  trans-157.5119149.3-83.3-69.7120.500107.8
494D50.1Low51.6Low165 Ų165145.5 Ų145.588%0.88281%0.806SS**  trans-60.6127.5172.9-66.4-68.6000112.1
495A55.1Low51.6Low95 Ų95148.9 Ų148.979%0.78581%0.809SS**  trans-179.6114.4144.100000113.7
496N46.7Very low51.4Low145 Ų145145.6 Ų145.678%0.77580%0.804SS**  68.195.4129.3-156.644.1000119
497C40.6Very low51.5Low124 Ų124150.6 Ų150.684%0.83881%0.814SS**  trans-77.8132.7156.7-68.10000111.2
498P60.9Low51.3Low112 Ų112146.3 Ų146.373%0.72781%0.805SS**  trans-113.2117155.328.6-13.3000111
499V55Low50.8Low123 Ų123140.8 Ų140.875%0.74579%0.792SS**  trans-70.9133.2164.9175.90000109I501V499-I501 PolarHBondContact O-N 3.27Å
500P58.2Low50.7Low119 Ų119140.7 Ų140.777%0.77379%0.791SS**  trans-83.4106.3168.130.8-26.8000109.8
501I46.3Very low50.9Low135 Ų135144.8 Ų144.869%0.69280%0.801SS**  trans-79.2125161.8-67.9170.7000107.6V499 K503V499-I501 PolarHBondContact O-N 3.27Å; I501-K503 HydrophobicContact CG2-CG 3.96Å
502V57Low51.5Low149 Ų149142.9 Ų142.990%0.90380%0.802SS**  trans-107.5120.4161.8-121.70000108.1
503K47.3Very low51.5Low178 Ų178142.2 Ų142.277%0.77480%0.798SS**  trans-99.2140.1177-74169.9173.6171.80109.3I501I501-K503 HydrophobicContact CG2-CG 3.96Å
504E55.6Low51.6Low192 Ų192140.7 Ų140.790%0.89780%0.796SS**  trans-142.798.8145.9-76.3-161.5140.800105.5
505E45.3Very low51.7Low187 Ų187142 Ų14287%0.87480%0.797SS**  4398.593.2-79.7-166.1115.700114
506A44.5Very low52.1Low91 Ų91146 Ų14675%0.75280%0.801SS**  82.3108.468.700000115.6
507K51.8Low52.3Low200 Ų200145.8 Ų145.887%0.8780%0.8SS**  trans-176.7104.2147.4-133.7134.2178.4179.50109.7
508S44.9Very low52.3Low101 Ų101145.5 Ų145.571%0.70680%0.795SS**  91.9122.284.770.60000115.4
509A49.5Very low51.8Low87 Ų87147 Ų14772%0.71980%0.802SS**  trans58.6144.2146.300000118.1
510D52.6Low51.3Low149 Ų149149.6 Ų149.680%0.79781%0.806SS**  cis-154.7134.126.5-73.5-72.3000106.5
511E51.6Low50.9Low168 Ų168151.1 Ų151.179%0.78581%0.807SS**  43.8102.894.7-162.5166.9170.900116.5
512V62.7Low50.8Low137 Ų137150 Ų15083%0.8381%0.807SS**  trans-159.2121.7142-170.40000109.9
513D49.1Very low50.2Low137 Ų137149.1 Ų149.173%0.73380%0.802SS**  trans-71.5144.1166-64.7-70000112
514D59.1Low50.4Low160 Ų160147.4 Ų147.486%0.85681%0.806SS**  trans-157104.8150.3-98.9-49.4000111.2
515E52.7Low49.8Very low192 Ų192144.3 Ų144.390%0.89780%0.795SS**  trans-83.7124.1162.6179.6-179154.300107.5
516M63.5Low50Low180 Ų180146.7 Ų146.789%0.88780%0.796SS**  trans-141.1100.1170.9-166.1169165.700112.7
517D50.5Low50.4Low140 Ų140150.2 Ų150.275%0.74980%0.795SS**  56.1126.1129.7-109.8-23.3000123.1
518T41.4Very low50.6Low118 Ų118147 Ų14772%0.72479%0.787SS**  trans-57.9140.5163.447.90000113.7
519T50.2Low51Low143 Ų143147.8 Ų147.888%0.87779%0.79SS**  trans-148.8120.9145.138.80000111.5
520E44.6Very low50.9Low178 Ų178148.8 Ų148.883%0.83279%0.791SS**  trans-61153.6159-64.7-179.2111.100110.8
521L47.8Very low51.5Low152 Ų152147.5 Ų147.580%0.79679%0.791SS**  170.5121.3123.4-89.4158.6000113
522T44.7Very low51.3Low112 Ų112145.2 Ų145.269%0.68779%0.788SS**  trans67.6104.7136.153.70000122.1
523T44Very low51.1Low130 Ų130147 Ų14780%0.79879%0.793SS**  32.1109.5115.2-48.70000118.9
524V51.8Low51.2Low141 Ų141149.1 Ų149.186%0.85580%0.797SS**  trans-139.4125.9139.9-175.80000110.3
525N43.7Very low50.7Low127 Ų127145.6 Ų145.668%0.67979%0.791SS**  trans-91.9141-178.3-174.6-14.9000110.4
526R48.5Very low51.2Low237 Ų237144.9 Ų144.989%0.89479%0.787SS**  trans-179.3102159.5-99.6162.8-176.1173.42.4106.2
527K52.9Low51.1Low166 Ų166142 Ų14272%0.72278%0.782SS**  57.8109.657.8-155.9140.1-171.7171.50109.8
528D56.5Low51.6Low133 Ų133147.2 Ų147.271%0.71179%0.791SS**  179.6-174.964.2-120.3-15.9000110.4
529P53.2Low52.5Low117 Ų117148 Ų14876%0.7680%0.797SS**  -123-179.8-11940.3-22.3000118.5
530S48Very low52.8Low107 Ų107151.9 Ų151.975%0.74882%0.819SS**  trans-50.6162.2177.7-146.60000117.7
531P64.6Low53.2Low123 Ų123150.6 Ų150.680%0.79982%0.819SS**  trans-118.2133.8146.132.2-19.8000112.9
532V48.6Very low53.5Low119 Ų119150.5 Ų150.572%0.72182%0.82SS**  trans-78.5133.6171.3170.20000109.1
533L58.2Low54Low176 Ų176152.6 Ų152.692%0.92183%0.827SS**  trans-133.2135.6155.8-77.5-178.4000111.2
534H51.5Low54.6Low180 Ų180153.9 Ų153.983%0.83383%0.829SS**  trans-68.7153.8-165.4-104.2-102000114.8
535A48.3Very low54.7Low87 Ų87154.8 Ų154.872%0.71983%0.827SS**  trans-65.5150.3170.700000113.9
536E61.8Low55.5Low176 Ų176156.6 Ų156.682%0.82284%0.837SS**  trans-139.4131.8147.1-73-143.6153.900110.4
537P62.6Low56Low119 Ų119150.9 Ų150.977%0.77383%0.833SS**  trans-94.8137.4167.734.1-26.5000111.1
538W60.9Low56.2Low250 Ų250149.7 Ų149.795%0.94784%0.842SS**  trans-84.7123.4179.3-72.351.8000111.1
539T59.8Low56.2Low136 Ų136151.1 Ų151.183%0.83485%0.852SS**  trans-132.412116240.80000109.1
540V56.6Low56.5Low223 Ų223154.2 Ų154.2100%1.35286%0.861SS**  trans-138.30150.3177.70000107.3

Retrieved 540 of 540 residues in 169.1 ms (Link to these results)